Ethyl 2-chloroacetoacetate
TL;DR: Ethyl 2-chloroacetoacetate (CAS 609-15-4) is a chemical compound with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3-oxobutanoate
Also Known As: Ethyl 2-chloroacetoacetate, Ethyl 2-chloro-3-oxobutanoate, Ethyl alpha-chloroacetoacetate, Ethyl 2-chloracetoacetate, Ethyl-2-chloracetoacetate
| Molecular Formula | C6H9ClO3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.02402 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
| Vapor Pressure | 0.22 [mmHg] |
Chemical Identifiers
| CAS Number | 609-15-4 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)Cl |
| InChIKey | RDULEYWUGKOCMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-chloroacetoacetate (CAS 609-15-4), with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol. IUPAC: ethyl 2-chloro-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-chloroacetoacetate
Property Insights of Ethyl 2-chloroacetoacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloroacetoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-chloroacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloroacetoacetate 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 2-chloroacetoacetate?
The CAS number of Ethyl 2-chloroacetoacetate is 609-15-4.
What is the molecular formula of Ethyl 2-chloroacetoacetate?
The molecular formula of Ethyl 2-chloroacetoacetate is C6H9ClO3.
What is the molecular weight of Ethyl 2-chloroacetoacetate?
The molecular weight of Ethyl 2-chloroacetoacetate is 164.02 g/mol.
Where can I buy Ethyl 2-chloroacetoacetate?
You can request a quote for Ethyl 2-chloroacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloroacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloroacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.