Ethyl 2-chlorohexanoate
TL;DR: Ethyl 2-chlorohexanoate (CAS 85153-52-2) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chlorohexanoate
Also Known As: Ethyl 2-chlorohexanoate, ethyl chlorohexanoate, EINECS 285-834-5, 2-Chlorohexanoic acid ethyl ester, Hexanoic acid, 2-chloro-, ethyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.3471 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 114.65968 |
Chemical Identifiers
| CAS Number | 85153-52-2 |
|---|---|
| SMILES | CCCCC(C(=O)OCC)Cl |
Product Overview
Ethyl 2-chlorohexanoate (CAS 85153-52-2), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: ethyl 2-chlorohexanoate.
Chemical Property Profile of Ethyl 2-chlorohexanoate
Property Insights of Ethyl 2-chlorohexanoate
The XLogP value of 2.3471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chlorohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-chlorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-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 Ethyl 2-chlorohexanoate?
The CAS number of Ethyl 2-chlorohexanoate is 85153-52-2.
What is the molecular formula of Ethyl 2-chlorohexanoate?
The molecular formula of Ethyl 2-chlorohexanoate is C8H15ClO2.
What is the molecular weight of Ethyl 2-chlorohexanoate?
The molecular weight of Ethyl 2-chlorohexanoate is 178.08 g/mol.
Where can I buy Ethyl 2-chlorohexanoate?
You can request a quote for Ethyl 2-chlorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chlorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chlorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.