2-Chlorocyclopentanone
TL;DR: 2-Chlorocyclopentanone (CAS 694-28-0) is a chemical compound with molecular formula C5H7ClO and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorocyclopentan-1-one
Also Known As: 2-Chlorocyclopentanone, 2-chlorocyclopentan-1-one, CYCLOPENTANONE, 2-CHLORO-, 2-Chloro-1-cyclopentanone, alpha-Chlorocyclopentanone
| Molecular Formula | C5H7ClO |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.01854 |
| Heavy Atoms | 7 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 694-28-0 |
|---|---|
| SMILES | C1CC(C(=O)C1)Cl |
| InChIKey | AXDZFGRFZOQVBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorocyclopentanone (CAS 694-28-0), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: 2-chlorocyclopentan-1-one.
Chemical Property Profile of 2-Chlorocyclopentanone
Property Insights of 2-Chlorocyclopentanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorocyclopentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chlorocyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorocyclopentanone 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-Chlorocyclopentanone?
The CAS number of 2-Chlorocyclopentanone is 694-28-0.
What is the molecular formula of 2-Chlorocyclopentanone?
The molecular formula of 2-Chlorocyclopentanone is C5H7ClO.
What is the molecular weight of 2-Chlorocyclopentanone?
The molecular weight of 2-Chlorocyclopentanone is 118.02 g/mol.
Where can I buy 2-Chlorocyclopentanone?
You can request a quote for 2-Chlorocyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorocyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorocyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.