3-Chlorohexane
TL;DR: 3-Chlorohexane (CAS 2346-81-8) is a chemical compound with molecular formula C6H13Cl and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorohexane
Also Known As: 3-Chlorohexane, Hexane, 3-chloro-, 3-chloro-hexane, 3-chloro-hexan, 3-Hexyl Chloride
| Molecular Formula | C6H13Cl |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.07058 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 2346-81-8 |
|---|---|
| SMILES | CCCC(CC)Cl |
| InChIKey | BXSMMAVTEURRGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorohexane (CAS 2346-81-8), with molecular formula C6H13Cl and molecular weight 120.07 g/mol. IUPAC: 3-chlorohexane.
Chemical Property Profile of 3-Chlorohexane
Property Insights of 3-Chlorohexane
The XLogP value of 3.0 indicates that 3-Chlorohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chlorohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorohexane 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-Chlorohexane?
The CAS number of 3-Chlorohexane is 2346-81-8.
What is the molecular formula of 3-Chlorohexane?
The molecular formula of 3-Chlorohexane is C6H13Cl.
What is the molecular weight of 3-Chlorohexane?
The molecular weight of 3-Chlorohexane is 120.07 g/mol.
Where can I buy 3-Chlorohexane?
You can request a quote for 3-Chlorohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorohexane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.