cis-3,4-Dimethylcyclohexanone
TL;DR: cis-3,4-Dimethylcyclohexanone (CAS 27922-05-0) 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.
cis-(3S,4R)-3,4-dimethylcyclohexan-1-one
Also Known As: CIS-3,4-DIMETHYLCYCLOHEXANONE, (3S,4R)-3,4-dimethylcyclohexan-1-one, 3alpha,4alpha-Dimethylcyclohexanone, (3S,4R)-3,4-dimethylcyclohexanone, Cyclohexanone, 3,4-dimethyl-, cis-
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.6 |
| 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 | 118.0 |
Chemical Identifiers
| CAS Number | 27922-05-0 |
|---|---|
| SMILES | C[C@@H]1CCC(=O)C[C@@H]1C |
| InChIKey | ZDCYWXYPRPCJOY-RQJHMYQMSA-N |
Product Overview
cis-3,4-Dimethylcyclohexanone (CAS 27922-05-0), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: cis-(3S,4R)-3,4-dimethylcyclohexan-1-one.
Chemical Property Profile of cis-3,4-Dimethylcyclohexanone
Property Insights of cis-3,4-Dimethylcyclohexanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3,4-Dimethylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, cis-3,4-Dimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3,4-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 cis-3,4-Dimethylcyclohexanone?
The CAS number of cis-3,4-Dimethylcyclohexanone is 27922-05-0.
What is the molecular formula of cis-3,4-Dimethylcyclohexanone?
The molecular formula of cis-3,4-Dimethylcyclohexanone is C8H14O.
What is the molecular weight of cis-3,4-Dimethylcyclohexanone?
The molecular weight of cis-3,4-Dimethylcyclohexanone is 126.10 g/mol.
Where can I buy cis-3,4-Dimethylcyclohexanone?
You can request a quote for cis-3,4-Dimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3,4-Dimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for cis-3,4-Dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.