Ethyl 4-chlorobutyrate
TL;DR: Ethyl 4-chlorobutyrate (CAS 3153-36-4) 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 4-chlorobutanoate
Also Known As: Ethyl 4-chlorobutyrate, ETHYL 4-CHLOROBUTANOATE, Ethyl gamma-chlorobutyrate, Ethyl-4-chlorobutyrate, Butanoic acid, 4-chloro-, 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 | 5 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 3153-36-4 |
|---|---|
| SMILES | CCOC(=O)CCCCl |
| InChIKey | OPXNFHAILOHHFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chlorobutyrate (CAS 3153-36-4), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: ethyl 4-chlorobutanoate.
Chemical Property Profile of Ethyl 4-chlorobutyrate
Property Insights of Ethyl 4-chlorobutyrate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chlorobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-chlorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chlorobutyrate 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 4-chlorobutyrate?
The CAS number of Ethyl 4-chlorobutyrate is 3153-36-4.
What is the molecular formula of Ethyl 4-chlorobutyrate?
The molecular formula of Ethyl 4-chlorobutyrate is C6H11ClO2.
What is the molecular weight of Ethyl 4-chlorobutyrate?
The molecular weight of Ethyl 4-chlorobutyrate is 150.04 g/mol.
Where can I buy Ethyl 4-chlorobutyrate?
You can request a quote for Ethyl 4-chlorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chlorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chlorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.