Ethyl 3-chlorobutanoate
TL;DR: Ethyl 3-chlorobutanoate (CAS 7425-48-1) 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.
ethyl 3-chlorobutanoate
Also Known As: Ethyl 3-chlorobutanoate, Athyl-ss-chlorbutyrat, 3-chlorobutyric acid ethylester, Butanoic acid, 3-chloro-, ethyl ester, 3-chloro-Butanoic acid, ethyl ester
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.4 |
| 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 | 93.0 |
Chemical Identifiers
| CAS Number | 7425-48-1 |
|---|---|
| SMILES | CCOC(=O)CC(C)Cl |
| InChIKey | ZSWGSCUZUONRDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-chlorobutanoate (CAS 7425-48-1), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: ethyl 3-chlorobutanoate.
Chemical Property Profile of Ethyl 3-chlorobutanoate
Property Insights of Ethyl 3-chlorobutanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chlorobutanoate 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 Ethyl 3-chlorobutanoate?
The CAS number of Ethyl 3-chlorobutanoate is 7425-48-1.
What is the molecular formula of Ethyl 3-chlorobutanoate?
The molecular formula of Ethyl 3-chlorobutanoate is C6H11ClO2.
What is the molecular weight of Ethyl 3-chlorobutanoate?
The molecular weight of Ethyl 3-chlorobutanoate is 150.04 g/mol.
Where can I buy Ethyl 3-chlorobutanoate?
You can request a quote for Ethyl 3-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.