Ethyl 2-chlorobutanoate
TL;DR: Ethyl 2-chlorobutanoate (CAS 7425-45-8) 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 2-chlorobutanoate
Also Known As: Ethyl 2-chlorobutanoate, Ethyl 2-chlorobutyrate, 2-Chloroethyl butanoate, Ethyl-2-chloro-n-butanoate, ethyl alpha-chlorobutyrate
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 2.0 |
| 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 | 7425-45-8 |
|---|---|
| SMILES | CCC(C(=O)OCC)Cl |
| InChIKey | QTEITWPJVHAOTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-chlorobutanoate (CAS 7425-45-8), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: ethyl 2-chlorobutanoate.
Chemical Property Profile of Ethyl 2-chlorobutanoate
Property Insights of Ethyl 2-chlorobutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-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 2-chlorobutanoate?
The CAS number of Ethyl 2-chlorobutanoate is 7425-45-8.
What is the molecular formula of Ethyl 2-chlorobutanoate?
The molecular formula of Ethyl 2-chlorobutanoate is C6H11ClO2.
What is the molecular weight of Ethyl 2-chlorobutanoate?
The molecular weight of Ethyl 2-chlorobutanoate is 150.04 g/mol.
Where can I buy Ethyl 2-chlorobutanoate?
You can request a quote for Ethyl 2-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.