Ethyl-4-chloro-2-ethoxymethyleneacetoacetate
TL;DR: Ethyl-4-chloro-2-ethoxymethyleneacetoacetate (CAS 91168-75-1) is a chemical compound with molecular formula C9H13ClO4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-(ethoxymethylidene)-3-oxobutanoate
Also Known As: Ethyl-4-chloro-2-ethoxymethyleneacetoacetate, ethyl 4-chloro-2-(ethoxymethylidene)-3-oxobutanoate, ethyl (Z)-2-(2-chloroacetyl)-3-ethoxy-2-propenoate
| Molecular Formula | C9H13ClO4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 1.2778 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.05023 |
| Heavy Atoms | 14 |
| Complexity | 234.96645 |
Chemical Identifiers
| CAS Number | 91168-75-1 |
|---|---|
| SMILES | CCOC=C(C(=O)CCl)C(=O)OCC |
Product Overview
Ethyl-4-chloro-2-ethoxymethyleneacetoacetate (CAS 91168-75-1), with molecular formula C9H13ClO4 and molecular weight 220.05 g/mol. IUPAC: ethyl 4-chloro-2-(ethoxymethylidene)-3-oxobutanoate.
Chemical Property Profile of Ethyl-4-chloro-2-ethoxymethyleneacetoacetate
Property Insights of Ethyl-4-chloro-2-ethoxymethyleneacetoacetate
The XLogP value of 1.2778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-4-chloro-2-ethoxymethyleneacetoacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl-4-chloro-2-ethoxymethyleneacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl-4-chloro-2-ethoxymethyleneacetoacetate has 0 hydrogen bond donor(s) and 4 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-chloro-2-ethoxymethyleneacetoacetate?
The CAS number of Ethyl-4-chloro-2-ethoxymethyleneacetoacetate is 91168-75-1.
What is the molecular formula of Ethyl-4-chloro-2-ethoxymethyleneacetoacetate?
The molecular formula of Ethyl-4-chloro-2-ethoxymethyleneacetoacetate is C9H13ClO4.
What is the molecular weight of Ethyl-4-chloro-2-ethoxymethyleneacetoacetate?
The molecular weight of Ethyl-4-chloro-2-ethoxymethyleneacetoacetate is 220.05 g/mol.
Where can I buy Ethyl-4-chloro-2-ethoxymethyleneacetoacetate?
You can request a quote for Ethyl-4-chloro-2-ethoxymethyleneacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-4-chloro-2-ethoxymethyleneacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-4-chloro-2-ethoxymethyleneacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.