2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester
TL;DR: 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester (CAS 5869-59-0) is a chemical compound with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorophenyl)diazenyl]-3-oxobutanoate
Also Known As: 3-Chlor-phenyl-azo-acetessigester, ethyl(m-methylphenyazo) acetoacetate, 3-Chlor-phenyl-azo-acetessigester [German], 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester, ethyl 2-[(3-chlorophenyl)diazenyl]-3-oxobutanoate
| Molecular Formula | C12H13ClN2O3 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.06146 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 5869-59-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)N=NC1=CC(=CC=C1)Cl |
| InChIKey | GMRPNOZSFQVVCC-UHFFFAOYSA-N |
Product Overview
2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester (CAS 5869-59-0), with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol. IUPAC: ethyl 2-[(3-chlorophenyl)diazenyl]-3-oxobutanoate.
Chemical Property Profile of 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester
Property Insights of 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester
The XLogP value of 3.0 indicates that 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester. Following Lipinski's Rule of Five, 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester has 0 hydrogen bond donor(s) and 5 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 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester?
The CAS number of 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester is 5869-59-0.
What is the molecular formula of 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester?
The molecular formula of 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester is C12H13ClN2O3.
What is the molecular weight of 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester?
The molecular weight of 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester is 268.06 g/mol.
Where can I buy 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester?
You can request a quote for 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-((m-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.