(3S,5S)-3,5-dimethylcyclohexanone
TL;DR: (3S,5S)-3,5-dimethylcyclohexanone (CAS 7214-49-5) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(3S,5S)-3,5-dimethylcyclohexan-1-one
Also Known As: 3,5-Dimethylcyclohexanone, trans-3,5-Dimethylcyclohexanone, 3beta,5alpha-Dimethylcyclohexanone, (3S,5S)-3,5-dimethylcyclohexanone, (3S,5S)-3,5-dimethylcyclohexan-1-one
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 7214-49-5 |
|---|---|
| SMILES | C[C@H]1C[C@@H](CC(=O)C1)C |
| InChIKey | MSANHHHQJYQEOK-BQBZGAKWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3S,5S)-3,5-dimethylcyclohexanone (CAS 7214-49-5), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: trans-(3S,5S)-3,5-dimethylcyclohexan-1-one.
Chemical Property Profile of (3S,5S)-3,5-dimethylcyclohexanone
Property Insights of (3S,5S)-3,5-dimethylcyclohexanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,5S)-3,5-dimethylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, (3S,5S)-3,5-dimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,5S)-3,5-dimethylcyclohexanone 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 (3S,5S)-3,5-dimethylcyclohexanone?
The CAS number of (3S,5S)-3,5-dimethylcyclohexanone is 7214-49-5.
What is the molecular formula of (3S,5S)-3,5-dimethylcyclohexanone?
The molecular formula of (3S,5S)-3,5-dimethylcyclohexanone is C8H14O.
What is the molecular weight of (3S,5S)-3,5-dimethylcyclohexanone?
The molecular weight of (3S,5S)-3,5-dimethylcyclohexanone is 126.10 g/mol.
Where can I buy (3S,5S)-3,5-dimethylcyclohexanone?
You can request a quote for (3S,5S)-3,5-dimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,5S)-3,5-dimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for (3S,5S)-3,5-dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.