2-Chloroethyl butanoate
TL;DR: 2-Chloroethyl butanoate (CAS 17229-14-0) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl butanoate
Also Known As: 2-Chloroethyl butanoate, monochloroethyl butyrate, Butanoic acid, 2-chloroethyl ester, Butyric acid 2-chloroethyl ester, Butanoic acid 2-chloroethyl ester
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.5685 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 83.127045 |
Chemical Identifiers
| CAS Number | 17229-14-0 |
|---|---|
| SMILES | CCCC(=O)OCCCl |
Product Overview
2-Chloroethyl butanoate (CAS 17229-14-0), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: 2-chloroethyl butanoate.
Chemical Property Profile of 2-Chloroethyl butanoate
Property Insights of 2-Chloroethyl butanoate
The XLogP value of 1.5685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl butanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl butanoate 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 butanoate?
The CAS number of 2-Chloroethyl butanoate is 17229-14-0.
What is the molecular formula of 2-Chloroethyl butanoate?
The molecular formula of 2-Chloroethyl butanoate is C6H11ClO2.
What is the molecular weight of 2-Chloroethyl butanoate?
The molecular weight of 2-Chloroethyl butanoate is 150.04 g/mol.
Where can I buy 2-Chloroethyl butanoate?
You can request a quote for 2-Chloroethyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.