1-Chlorocyclohexene
TL;DR: 1-Chlorocyclohexene (CAS 930-66-5) 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.
1-chlorocyclohexene
Also Known As: 1-CHLOROCYCLOHEXENE, 1-Chlorocyclohex-1-ene, Cyclohexene, 1-chloro-, 1-chloro-cyclohexene, 1-Chloro-1-cyclohexene
| Molecular Formula | C6H9Cl |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 2.6 |
| 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 | 84.0 |
Chemical Identifiers
| CAS Number | 930-66-5 |
|---|---|
| SMILES | C1CCC(=CC1)Cl |
| InChIKey | BUAKPITZELZWNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chlorocyclohexene (CAS 930-66-5), with molecular formula C6H9Cl and molecular weight 116.04 g/mol. IUPAC: 1-chlorocyclohexene.
Chemical Property Profile of 1-Chlorocyclohexene
Property Insights of 1-Chlorocyclohexene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chlorocyclohexene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chlorocyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Chlorocyclohexene?
The CAS number of 1-Chlorocyclohexene is 930-66-5.
What is the molecular formula of 1-Chlorocyclohexene?
The molecular formula of 1-Chlorocyclohexene is C6H9Cl.
What is the molecular weight of 1-Chlorocyclohexene?
The molecular weight of 1-Chlorocyclohexene is 116.04 g/mol.
Where can I buy 1-Chlorocyclohexene?
You can request a quote for 1-Chlorocyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chlorocyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chlorocyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.