1-氯己烷
TL;DR: 1-氯己烷 (CAS 544-10-5) 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.
1-氯己烷
1-chlorohexane
Also Known As: 1-CHLOROHEXANE, Hexyl chloride, Chlorohexane, n-Hexyl chloride, Hexane, 1-chloro-
| Molecular Formula | C6H13Cl |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 120.07058 |
| Heavy Atoms | 7 |
| Complexity | 27.0 |
| Flash Point | 35.0 °C (NFPA, 2010) |
| Vapor Pressure | 9.37 [mmHg] |
Chemical Identifiers
| CAS Number | 544-10-5 |
|---|---|
| SMILES | CCCCCCCl |
| InChIKey | MLRVZFYXUZQSRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯己烷 (CAS 544-10-5), with molecular formula C6H13Cl and molecular weight 120.07 g/mol. IUPAC: 1-chlorohexane.
Chemical Property Profile of 1-氯己烷
Property Insights of 1-氯己烷
The XLogP value of 3.6 indicates that 1-氯己烷 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-氯己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氯己烷 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-氯己烷?
The CAS number of 1-氯己烷 is 544-10-5.
What is the molecular formula of 1-氯己烷?
The molecular formula of 1-氯己烷 is C6H13Cl.
What is the molecular weight of 1-氯己烷?
The molecular weight of 1-氯己烷 is 120.07 g/mol.
Where can I buy 1-氯己烷?
You can request a quote for 1-氯己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯己烷?
Yes, KEHONG BIO provides custom synthesis services for 1-氯己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.