(2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone
TL;DR: (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone (CAS 175605-76-2) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one
Also Known As: J1.001.762I, (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone, (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one, 2beta-Hydroxy-2-methyl-4beta-tert-butylcyclohexanone, rel-(2R,4R)-4-(1,1-Dimethylethyl)-2-hydroxy-2-methylcyclohexanone
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.1527 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 210.62039 |
Chemical Identifiers
| CAS Number | 175605-76-2 |
|---|---|
| SMILES | C[C@@]1(C[C@H](CCC1=O)C(C)(C)C)O |
Product Overview
(2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone (CAS 175605-76-2), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: cis-(2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexan-1-one.
Chemical Property Profile of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone
Property Insights of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone
The XLogP value of 2.1527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone. With a topological polar surface area (TPSA) of 37.3 Ų, (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone?
The CAS number of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone is 175605-76-2.
What is the molecular formula of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone?
The molecular formula of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone is C11H20O2.
What is the molecular weight of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone?
The molecular weight of (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone is 184.15 g/mol.
Where can I buy (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone?
You can request a quote for (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for (2S,4S)-4-tert-butyl-2-hydroxy-2-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.