(+)-3-Methylcyclohexanone
TL;DR: (+)-3-Methylcyclohexanone (CAS 13368-65-5) 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.
(3R)-3-methylcyclohexan-1-one
Also Known As: (+)-3-Methylcyclohexanone, (R)-(+)-3-Methylcyclohexanone, (3R)-3-methylcyclohexan-1-one, (r)-3-methylcyclohexanone, 3-Methylcyclohexanone, (+)-
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 13368-65-5 |
|---|---|
| SMILES | C[C@@H]1CCCC(=O)C1 |
| InChIKey | UJBOOUHRTQVGRU-ZCFIWIBFSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-3-Methylcyclohexanone (CAS 13368-65-5), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: (3R)-3-methylcyclohexan-1-one.
Chemical Property Profile of (+)-3-Methylcyclohexanone
Property Insights of (+)-3-Methylcyclohexanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-3-Methylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, (+)-3-Methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-3-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 (+)-3-Methylcyclohexanone?
The CAS number of (+)-3-Methylcyclohexanone is 13368-65-5.
What is the molecular formula of (+)-3-Methylcyclohexanone?
The molecular formula of (+)-3-Methylcyclohexanone is C7H12O.
What is the molecular weight of (+)-3-Methylcyclohexanone?
The molecular weight of (+)-3-Methylcyclohexanone is 112.09 g/mol.
Where can I buy (+)-3-Methylcyclohexanone?
You can request a quote for (+)-3-Methylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-3-Methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for (+)-3-Methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.