1-Chloroethyl hexanoate
TL;DR: 1-Chloroethyl hexanoate (CAS 73363-60-7) 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.
1-chloroethyl hexanoate
Also Known As: 1-chloroethyl hexanoate, alpha-chloroethyl hexanoate, Hexanoic acid, 1-chloroethyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 73363-60-7 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)Cl |
| InChIKey | RBJBURJVGINATA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloroethyl hexanoate (CAS 73363-60-7), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: 1-chloroethyl hexanoate.
Chemical Property Profile of 1-Chloroethyl hexanoate
Property Insights of 1-Chloroethyl hexanoate
The XLogP value of 3.1 indicates that 1-Chloroethyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Chloroethyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Chloroethyl hexanoate?
The CAS number of 1-Chloroethyl hexanoate is 73363-60-7.
What is the molecular formula of 1-Chloroethyl hexanoate?
The molecular formula of 1-Chloroethyl hexanoate is C8H15ClO2.
What is the molecular weight of 1-Chloroethyl hexanoate?
The molecular weight of 1-Chloroethyl hexanoate is 178.08 g/mol.
Where can I buy 1-Chloroethyl hexanoate?
You can request a quote for 1-Chloroethyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloroethyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloroethyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.