Methyl 6-chlorohexanoate
TL;DR: Methyl 6-chlorohexanoate (CAS 14273-89-3) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chlorohexanoate
Also Known As: Methyl 6-chlorohexanoate, Methyl6-chlorohexanoate, 6-Chlorohexanoic acid methyl ester, Hexanoic acid, 6-chloro-, methyl ester, 6-Chlorocaproic acid methyl ester
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 14273-89-3 |
|---|---|
| SMILES | COC(=O)CCCCCCl |
| InChIKey | RZYHYFOTLPEKJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-chlorohexanoate (CAS 14273-89-3), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: methyl 6-chlorohexanoate.
Chemical Property Profile of Methyl 6-chlorohexanoate
Property Insights of Methyl 6-chlorohexanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-chlorohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 6-chlorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-chlorohexanoate has 0 hydrogen bond donor(s) and 2 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 Methyl 6-chlorohexanoate?
The CAS number of Methyl 6-chlorohexanoate is 14273-89-3.
What is the molecular formula of Methyl 6-chlorohexanoate?
The molecular formula of Methyl 6-chlorohexanoate is C7H13ClO2.
What is the molecular weight of Methyl 6-chlorohexanoate?
The molecular weight of Methyl 6-chlorohexanoate is 164.06 g/mol.
Where can I buy Methyl 6-chlorohexanoate?
You can request a quote for Methyl 6-chlorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-chlorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-chlorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.