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Cyclohexylphenols

Organic compounds that consist of a phenol ring with a ciclohexane substitution; includes compounds in which the ciclohexane group has additional substitutions.

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2

rac N,O-Didesmethyl Tramadol, TRC

CAS: 138853-73-3 Molecular Formula: C14 H21 N O2 Molecular Weight (g/mol): 235.32 Synonym: Phenol, 3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, rel-,Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, cis-(±)-,rel-3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol,Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, cis-,N,O-Didesmethyltramadol,rac N,O-Didesmethyl Tramadol,3-[(1RS,2RS)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol,cis-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol IUPAC Name: 3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol SMILES: CNC[C@H]1CCCC[C@]1(O)c2cccc(O)c2

CAS 138853-73-3
Molecular Weight (g/mol) 235.32
SMILES CNC[C@H]1CCCC[C@]1(O)c2cccc(O)c2
Synonym Phenol, 3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, rel-,Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, cis-(±)-,rel-3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol,Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, cis-,N,O-Didesmethyltramadol,rac N,O-Didesmethyl Tramadol,3-[(1RS,2RS)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol,cis-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol
IUPAC Name 3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
Molecular Formula C14 H21 N O2
5

2-(1-Adamantyl)-4-methylphenol, 99%

CAS: 41031-50-9 Molecular Formula: C17H22O Molecular Weight (g/mol): 242.36 MDL Number: MFCD00168147 InChI Key: XHLJIHBDAJFXBE-UHFFFAOYSA-N Synonym: 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl PubChem CID: 617992 IUPAC Name: 2-(1-adamantyl)-4-methylphenol SMILES: CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2

PubChem CID 617992
CAS 41031-50-9
Molecular Weight (g/mol) 242.36
MDL Number MFCD00168147
SMILES CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2
Synonym 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl
IUPAC Name 2-(1-adamantyl)-4-methylphenol
InChI Key XHLJIHBDAJFXBE-UHFFFAOYSA-N
Molecular Formula C17H22O
6

4-(4-Hydroxyphenyl)cyclohexanone, 97+%

CAS: 105640-07-1 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00210693 InChI Key: SLJYPZJZQIHNGU-UHFFFAOYSA-N Synonym: 4-4-hydroxyphenyl cyclohexanone,4-4-hydroxyphenyl cyclohexan-1-one,4-4-hydroxyphenyl-cyclohexanone,cyclohexanone, 4-4-hydroxyphenyl,4-4-hydroxyphenyl-1-cyclohexanone,acmc-1cukv,4-4-oxocyclohexyl phenol,ksc495c5l,4-4'-hydroxyphenyl-cyclohexanone PubChem CID: 4598916 IUPAC Name: 4-(4-hydroxyphenyl)cyclohexan-1-one SMILES: OC1=CC=C(C=C1)C1CCC(=O)CC1

PubChem CID 4598916
CAS 105640-07-1
Molecular Weight (g/mol) 190.24
MDL Number MFCD00210693
SMILES OC1=CC=C(C=C1)C1CCC(=O)CC1
Synonym 4-4-hydroxyphenyl cyclohexanone,4-4-hydroxyphenyl cyclohexan-1-one,4-4-hydroxyphenyl-cyclohexanone,cyclohexanone, 4-4-hydroxyphenyl,4-4-hydroxyphenyl-1-cyclohexanone,acmc-1cukv,4-4-oxocyclohexyl phenol,ksc495c5l,4-4'-hydroxyphenyl-cyclohexanone
IUPAC Name 4-(4-hydroxyphenyl)cyclohexan-1-one
InChI Key SLJYPZJZQIHNGU-UHFFFAOYSA-N
Molecular Formula C12H14O2
7

PROTAC ERα Degrader-2, MedChemExpress

MedChemExpress PROTAC ERα Degrader-2 comprises a IAP ligand binding group, a linker and an estrogen receptor α (ERα) binding group. PROTAC ERα Degrader-2 is an ERα degrader. Maximal ERα degradation at 30 μM concentration in human mammary tumor MCF7 cells. Degradation inducers based on cIAP1 are called specific and non-genetic IAP-dependent protein erasers (SNIPERs).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 763.96
Color White
Physical Form Solid
Chemical Name or Material PROTAC ERα Degrader-2
Grade Research
SMILES C[C@@]12[C@](CC/C2=N\OCC(NCCOCCOCCNC([C@H](CC(C)C)NC([C@@H](O)[C@H](N)CC3=CC=CC=C3)=O)=O)=O)([H])[C@@]4([H])[C@](C5=CC=C(O)C=C5CC4)([H])CC1
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.02%
CAS 1351169-29-3
Solubility Information DMSO : 200 mg/mL (261.79 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage -20°C, stored under nitrogen∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen)
Shelf Life -20°C, stored under nitrogen∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen)
Molecular Formula C42H61N5O8
Formula Weight 763.96
8

IDF-11774, MedChemExpress

MedChemExpress IDF-11774 is a novel hypoxia-inducible factor α (HIFα)-1 inhibitor with an IC50 of 3.65 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 368.51
Color Off-White
Physical Form Solid
Chemical Name or Material IDF-11774
Grade Research
SMILES CN1CCN(C(COC2=CC=C(C3(C4)CC5CC4CC(C5)C3)C=C2)=O)CC1
For Use With (Application) Cancer-Kinase/protease
Percent Purity 95.37%
CAS 1429054-28-3
Solubility Information DMSO : 60 mg/mL (162.82 mM; Need ultrasonic and warming)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C23H32N2O2
Formula Weight 368.51
9

ML-18, MedChemExpress

MedChemExpress ML-18 is a non-peptide bombesin receptor subtype-3 (BRS-3) antagonist with an IC50 of 4.8 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 569.65
Color Light Yellow
Physical Form Solid
Chemical Name or Material ML-18
Grade Research
SMILES O=C([C@@H](NC(NC1=CC=C([N+]([O-])=O)C=C1)=O)CC2=CNC3=CC=CC=C23)NCC4(C5=CC=C(OC)C=C5)CCCCC4
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.44%
CAS 1422269-30-4
Solubility Information DMSO : ≥ 100 mg/mL (175.55 mM)
Health Hazard 1 H302∣H315∣H319∣H335
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C32H35N5O5
Formula Weight 569.65
10

Estropipate, MedChemExpress

MedChemExpress Estropipate is a form of estrogen, used to treat symptoms of menopause, also used to prevent osteoporosis.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 436.56
Color White
Physical Form Solid
Chemical Name or Material Estropipate
Grade Research
SMILES C[C@]1([C@](CC2)([H])[C@]3([H])CCC4=C(C=CC(OS(=O)(O)=O)=C4)[C@@]3([H])CC1)C2=O.N5CCNCC5
Percent Purity 99.0%
CAS 7280-37-7
Solubility Information DMSO : 110 mg/mL (251.97 mM; Need ultrasonic)
Health Hazard 1 H302∣H350
Synonym Piperazine estrone sulfate Estrone sulfate piperazine salt
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C22H32N2O5S
Formula Weight 436.56