2-Chlorocyclohexanone
TL;DR: 2-Chlorocyclohexanone (CAS 822-87-7) is a chemical compound with molecular formula C6H9ClO and molecular weight 132.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorocyclohexan-1-one
Also Known As: 2-Chlorocyclohexanone, 2-chlorocyclohexan-1-one, alpha-Chlorocyclohexanone, CYCLOHEXANONE, 2-CHLORO-, 2-Chlorocyclohexonone
| Molecular Formula | C6H9ClO |
|---|---|
| Molecular Weight | 132.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.0342 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 822-87-7 |
|---|---|
| SMILES | C1CCC(=O)C(C1)Cl |
| InChIKey | CCHNWURRBFGQCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorocyclohexanone (CAS 822-87-7), with molecular formula C6H9ClO and molecular weight 132.03 g/mol. IUPAC: 2-chlorocyclohexan-1-one.
Chemical Property Profile of 2-Chlorocyclohexanone
Property Insights of 2-Chlorocyclohexanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorocyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chlorocyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorocyclohexanone 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 2-Chlorocyclohexanone?
The CAS number of 2-Chlorocyclohexanone is 822-87-7.
What is the molecular formula of 2-Chlorocyclohexanone?
The molecular formula of 2-Chlorocyclohexanone is C6H9ClO.
What is the molecular weight of 2-Chlorocyclohexanone?
The molecular weight of 2-Chlorocyclohexanone is 132.03 g/mol.
Where can I buy 2-Chlorocyclohexanone?
You can request a quote for 2-Chlorocyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorocyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorocyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.