Ethyl 3-chloro-3-oxopropionate
TL;DR: Ethyl 3-chloro-3-oxopropionate (CAS 36239-09-5) is a chemical compound with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloro-3-oxopropanoate
Also Known As: Ethyl malonyl chloride, ethyl 3-chloro-3-oxopropanoate, Ethyl (chloroformyl)acetate, Ethyl 3-chloro-3-oxopropionate, Ethyl chloroformylacetate
| Molecular Formula | C5H7ClO3 |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.00838 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 36239-09-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)Cl |
| InChIKey | KWFADUNOPOSMIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-chloro-3-oxopropionate (CAS 36239-09-5), with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol. IUPAC: ethyl 3-chloro-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-chloro-3-oxopropionate
Property Insights of Ethyl 3-chloro-3-oxopropionate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chloro-3-oxopropionate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-chloro-3-oxopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chloro-3-oxopropionate 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 Ethyl 3-chloro-3-oxopropionate?
The CAS number of Ethyl 3-chloro-3-oxopropionate is 36239-09-5.
What is the molecular formula of Ethyl 3-chloro-3-oxopropionate?
The molecular formula of Ethyl 3-chloro-3-oxopropionate is C5H7ClO3.
What is the molecular weight of Ethyl 3-chloro-3-oxopropionate?
The molecular weight of Ethyl 3-chloro-3-oxopropionate is 150.01 g/mol.
Where can I buy Ethyl 3-chloro-3-oxopropionate?
You can request a quote for Ethyl 3-chloro-3-oxopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chloro-3-oxopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chloro-3-oxopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.