(3S,4S)-3,4-dimethylcyclopentanone
TL;DR: (3S,4S)-3,4-dimethylcyclopentanone (CAS 223425-52-3) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(3S,4S)-3,4-dimethylcyclopentan-1-one
Also Known As: 3alpha,4beta-Dimethylcyclopentanone, (3S,4S)-3,4-dimethylcyclopentanone, 3alpha,4beta-Dimethyl-1-cyclopentanone, (3S,4S)-3,4-dimethylcyclopentan-1-one, cyclopentanone, 3,4-dimethyl-, (3R,4S)-
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.6215 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 94.95445 |
Chemical Identifiers
| CAS Number | 223425-52-3 |
|---|---|
| SMILES | C[C@H]1CC(=O)C[C@@H]1C |
Product Overview
(3S,4S)-3,4-dimethylcyclopentanone (CAS 223425-52-3), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: trans-(3S,4S)-3,4-dimethylcyclopentan-1-one.
Chemical Property Profile of (3S,4S)-3,4-dimethylcyclopentanone
Property Insights of (3S,4S)-3,4-dimethylcyclopentanone
The XLogP value of 1.6215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4S)-3,4-dimethylcyclopentanone. With a topological polar surface area (TPSA) of 17.07 Ų, (3S,4S)-3,4-dimethylcyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4S)-3,4-dimethylcyclopentanone 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,4S)-3,4-dimethylcyclopentanone?
The CAS number of (3S,4S)-3,4-dimethylcyclopentanone is 223425-52-3.
What is the molecular formula of (3S,4S)-3,4-dimethylcyclopentanone?
The molecular formula of (3S,4S)-3,4-dimethylcyclopentanone is C7H12O.
What is the molecular weight of (3S,4S)-3,4-dimethylcyclopentanone?
The molecular weight of (3S,4S)-3,4-dimethylcyclopentanone is 112.09 g/mol.
Where can I buy (3S,4S)-3,4-dimethylcyclopentanone?
You can request a quote for (3S,4S)-3,4-dimethylcyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4S)-3,4-dimethylcyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-3,4-dimethylcyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.