2-Acetylcyclohexanone
TL;DR: 2-Acetylcyclohexanone (CAS 874-23-7) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylcyclohexan-1-one
Also Known As: 2-ACETYLCYCLOHEXANONE, 2-Acetyl-1-cyclohexanone, 2-acetylcyclohexan-1-one, Cyclohexanone, 2-acetyl-, 2-acetyl-cyclohexanone
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 874-23-7 |
|---|---|
| SMILES | CC(=O)C1CCCCC1=O |
| InChIKey | OEKATORRSPXJHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetylcyclohexanone (CAS 874-23-7), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 2-acetylcyclohexan-1-one.
Chemical Property Profile of 2-Acetylcyclohexanone
Property Insights of 2-Acetylcyclohexanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylcyclohexanone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Acetylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylcyclohexanone has 0 hydrogen bond donor(s) and 2 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 2-Acetylcyclohexanone?
The CAS number of 2-Acetylcyclohexanone is 874-23-7.
What is the molecular formula of 2-Acetylcyclohexanone?
The molecular formula of 2-Acetylcyclohexanone is C8H12O2.
What is the molecular weight of 2-Acetylcyclohexanone?
The molecular weight of 2-Acetylcyclohexanone is 140.08 g/mol.
Where can I buy 2-Acetylcyclohexanone?
You can request a quote for 2-Acetylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.