2-Chloroethyl hexanoate
TL;DR: 2-Chloroethyl hexanoate (CAS 1071-55-2) 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.
2-chloroethyl hexanoate
Also Known As: 2-Chloroethyl hexanoate, Hexanoic acid, 2-chloroethyl ester, Caproic acid 2-chloroethyl ester, Hexanoic acid,2-chloroetthyl ester, Hexanoic acid, 2-chloroetthyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 1071-55-2 |
|---|---|
| SMILES | CCCCCC(=O)OCCCl |
| InChIKey | JIUOWPDPFXJIAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl hexanoate (CAS 1071-55-2), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: 2-chloroethyl hexanoate.
Chemical Property Profile of 2-Chloroethyl hexanoate
Property Insights of 2-Chloroethyl hexanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl hexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl hexanoate 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 2-Chloroethyl hexanoate?
The CAS number of 2-Chloroethyl hexanoate is 1071-55-2.
What is the molecular formula of 2-Chloroethyl hexanoate?
The molecular formula of 2-Chloroethyl hexanoate is C8H15ClO2.
What is the molecular weight of 2-Chloroethyl hexanoate?
The molecular weight of 2-Chloroethyl hexanoate is 178.08 g/mol.
Where can I buy 2-Chloroethyl hexanoate?
You can request a quote for 2-Chloroethyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.