1-Chloro-4-methylcyclohexane
TL;DR: 1-Chloro-4-methylcyclohexane (CAS 931-68-0) is a chemical compound with molecular formula CC1CCC(CC1)Cl and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-methylcyclohexane
Also Known As: 1-Chloro-4-methylcyclohexane, 4-Chlor-1-methylcyclohexan, Cyclohexane, 1-chloro-4-methyl-, 1beta-Chloro-4beta-methylcyclohexane, 1alpha-Chloro-4beta-methylcyclohexane
| Molecular Formula | CC1CCC(CC1)Cl |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.07057 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 931-68-0 |
|---|---|
| SMILES | CC1CCC(CC1)Cl |
| InChIKey | KNEUJTFLMQRIFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-methylcyclohexane (CAS 931-68-0), with molecular formula CC1CCC(CC1)Cl and molecular weight 132.07 g/mol. IUPAC: 1-chloro-4-methylcyclohexane.
Chemical Property Profile of 1-Chloro-4-methylcyclohexane
Property Insights of 1-Chloro-4-methylcyclohexane
The XLogP value of 3.1 indicates that 1-Chloro-4-methylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-4-methylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-methylcyclohexane 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-4-methylcyclohexane?
The CAS number of 1-Chloro-4-methylcyclohexane is 931-68-0.
What is the molecular formula of 1-Chloro-4-methylcyclohexane?
The molecular formula of 1-Chloro-4-methylcyclohexane is CC1CCC(CC1)Cl.
What is the molecular weight of 1-Chloro-4-methylcyclohexane?
The molecular weight of 1-Chloro-4-methylcyclohexane is 132.07 g/mol.
Where can I buy 1-Chloro-4-methylcyclohexane?
You can request a quote for 1-Chloro-4-methylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-methylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-methylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.