1-Chloro-2-methylcyclohexene
TL;DR: 1-Chloro-2-methylcyclohexene (CAS 16642-49-2) is a chemical compound with molecular formula C7H11Cl and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methylcyclohexene
Also Known As: 1-chloro-2-methylcyclohexene, 1-Chloro-2-methyl-1-cyclohexene, 1-chloro-2-methylcyclohex-1-ene, Cyclohexene, 1-chloro-2-methyl-, 1-Chloro-2-methyl-1-cyclohexene #
| Molecular Formula | C7H11Cl |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.05493 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 16642-49-2 |
|---|---|
| SMILES | CC1=C(CCCC1)Cl |
| InChIKey | DZIYMXLYTUVIQE-UHFFFAOYSA-N |
Product Overview
1-Chloro-2-methylcyclohexene (CAS 16642-49-2), with molecular formula C7H11Cl and molecular weight 130.05 g/mol. IUPAC: 1-chloro-2-methylcyclohexene.
Chemical Property Profile of 1-Chloro-2-methylcyclohexene
Property Insights of 1-Chloro-2-methylcyclohexene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-methylcyclohexene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2-methylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-methylcyclohexene 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-Chloro-2-methylcyclohexene?
The CAS number of 1-Chloro-2-methylcyclohexene is 16642-49-2.
What is the molecular formula of 1-Chloro-2-methylcyclohexene?
The molecular formula of 1-Chloro-2-methylcyclohexene is C7H11Cl.
What is the molecular weight of 1-Chloro-2-methylcyclohexene?
The molecular weight of 1-Chloro-2-methylcyclohexene is 130.05 g/mol.
Where can I buy 1-Chloro-2-methylcyclohexene?
You can request a quote for 1-Chloro-2-methylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-methylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-methylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.