3-Chlorocyclohexene
TL;DR: 3-Chlorocyclohexene (CAS 2441-97-6) is a chemical compound with molecular formula C6H9Cl and molecular weight 116.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorocyclohexene
Also Known As: 3-CHLOROCYCLOHEXENE, Cyclohexene, 3-chloro-, 3-chlorocyclohex-1-ene, 3-Chloro-1-cyclohexene, 3-Cyclohexenyl chloride
| Molecular Formula | C6H9Cl |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.039276 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 2441-97-6 |
|---|---|
| SMILES | C1CC=CC(C1)Cl |
| InChIKey | LNGQLHZIYFQUIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorocyclohexene (CAS 2441-97-6), with molecular formula C6H9Cl and molecular weight 116.04 g/mol. IUPAC: 3-chlorocyclohexene.
Chemical Property Profile of 3-Chlorocyclohexene
Property Insights of 3-Chlorocyclohexene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorocyclohexene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chlorocyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorocyclohexene has 0 hydrogen bond donor(s) and 0 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-Chlorocyclohexene?
The CAS number of 3-Chlorocyclohexene is 2441-97-6.
What is the molecular formula of 3-Chlorocyclohexene?
The molecular formula of 3-Chlorocyclohexene is C6H9Cl.
What is the molecular weight of 3-Chlorocyclohexene?
The molecular weight of 3-Chlorocyclohexene is 116.04 g/mol.
Where can I buy 3-Chlorocyclohexene?
You can request a quote for 3-Chlorocyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorocyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorocyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.