Butyl 6-chlorohexanoate
TL;DR: Butyl 6-chlorohexanoate (CAS 71130-19-3) is a chemical compound with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 6-chlorohexanoate
Also Known As: Butyl 6-chlorohexanoate, butyl6-chlorohexanoate, EINECS 275-210-0, 6-Chlorohexanoic acid butyl ester, Hexanoic acid, 6-chloro-, butyl ester
| Molecular Formula | C10H19ClO2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 3.1289 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.10736 |
| Heavy Atoms | 13 |
| Complexity | 126.093155 |
Chemical Identifiers
| CAS Number | 71130-19-3 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCCl |
Product Overview
Butyl 6-chlorohexanoate (CAS 71130-19-3), with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol. IUPAC: butyl 6-chlorohexanoate.
Chemical Property Profile of Butyl 6-chlorohexanoate
Property Insights of Butyl 6-chlorohexanoate
The XLogP value of 3.1289 indicates that Butyl 6-chlorohexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 6-chlorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl 6-chlorohexanoate?
The CAS number of Butyl 6-chlorohexanoate is 71130-19-3.
What is the molecular formula of Butyl 6-chlorohexanoate?
The molecular formula of Butyl 6-chlorohexanoate is C10H19ClO2.
What is the molecular weight of Butyl 6-chlorohexanoate?
The molecular weight of Butyl 6-chlorohexanoate is 206.11 g/mol.
Where can I buy Butyl 6-chlorohexanoate?
You can request a quote for Butyl 6-chlorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 6-chlorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 6-chlorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.