2-Chloroethyl octanoate
TL;DR: 2-Chloroethyl octanoate (CAS 65847-12-3) 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.
2-chloroethyl octanoate
Also Known As: 2-chloroethyl octanoate, 2-chloroethyloctanoate, Octanoic acid, 2-chloroethyl ester, Octanoic acid 2-chloroethyl ester, Octanoic acid,2-chloroethyl ester
| Molecular Formula | C10H19ClO2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 206.10736 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 65847-12-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCCl |
| InChIKey | XBVCXCNGNQZCES-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl octanoate (CAS 65847-12-3), with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol. IUPAC: 2-chloroethyl octanoate.
Chemical Property Profile of 2-Chloroethyl octanoate
Property Insights of 2-Chloroethyl octanoate
The XLogP value of 3.7 indicates that 2-Chloroethyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl octanoate 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 octanoate?
The CAS number of 2-Chloroethyl octanoate is 65847-12-3.
What is the molecular formula of 2-Chloroethyl octanoate?
The molecular formula of 2-Chloroethyl octanoate is C10H19ClO2.
What is the molecular weight of 2-Chloroethyl octanoate?
The molecular weight of 2-Chloroethyl octanoate is 206.11 g/mol.
Where can I buy 2-Chloroethyl octanoate?
You can request a quote for 2-Chloroethyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.