(2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone
TL;DR: (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone (CAS 28068-92-0) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-one
Also Known As: (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone, (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-one
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 3.6739 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 215.27545 |
Chemical Identifiers
| CAS Number | 28068-92-0 |
|---|---|
| SMILES | C[C@H]1C[C@@H](CCC1=O)C(C)(C)C(C)C |
Product Overview
(2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone (CAS 28068-92-0), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: cis-(2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-one.
Chemical Property Profile of (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone
Property Insights of (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone
The XLogP value of 3.6739 indicates that (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone has 0 hydrogen bond donor(s) and 1 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,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone?
The CAS number of (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone is 28068-92-0.
What is the molecular formula of (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone?
The molecular formula of (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone is C13H24O.
What is the molecular weight of (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone?
The molecular weight of (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone is 196.18 g/mol.
Where can I buy (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone?
You can request a quote for (2S,4R)-4-(2,3-dimethylbutan-2-yl)-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,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.