Butanoic acid, 4-fluoro-, 2-chloroethyl ester
TL;DR: Butanoic acid, 4-fluoro-, 2-chloroethyl ester (CAS 371-28-8) is a chemical compound with molecular formula C6H10ClFO2 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 4-fluorobutanoate
Also Known As: 2-chloroethyl 4-fluorobutanoate, 2-Chloroethyl gamma-fluorobutyrate, 4-Fluorobutyricacid2-chloroethylester, 4-Fluorobutyric acid 2-chloroethyl ester, BUTYRIC ACID, 4-FLUORO-, 2-CHLOROETHYL ESTER
| Molecular Formula | C6H10ClFO2 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 168.03534 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 371-28-8 |
|---|---|
| SMILES | C(CC(=O)OCCCl)CF |
| InChIKey | RBTZOCMNAYPQLS-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-fluoro-, 2-chloroethyl ester (CAS 371-28-8), with molecular formula C6H10ClFO2 and molecular weight 168.04 g/mol. IUPAC: 2-chloroethyl 4-fluorobutanoate.
Chemical Property Profile of Butanoic acid, 4-fluoro-, 2-chloroethyl ester
Property Insights of Butanoic acid, 4-fluoro-, 2-chloroethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-fluoro-, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 4-fluoro-, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-fluoro-, 2-chloroethyl ester has 0 hydrogen bond donor(s) and 3 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 Butanoic acid, 4-fluoro-, 2-chloroethyl ester?
The CAS number of Butanoic acid, 4-fluoro-, 2-chloroethyl ester is 371-28-8.
What is the molecular formula of Butanoic acid, 4-fluoro-, 2-chloroethyl ester?
The molecular formula of Butanoic acid, 4-fluoro-, 2-chloroethyl ester is C6H10ClFO2.
What is the molecular weight of Butanoic acid, 4-fluoro-, 2-chloroethyl ester?
The molecular weight of Butanoic acid, 4-fluoro-, 2-chloroethyl ester is 168.04 g/mol.
Where can I buy Butanoic acid, 4-fluoro-, 2-chloroethyl ester?
You can request a quote for Butanoic acid, 4-fluoro-, 2-chloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-fluoro-, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-fluoro-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.