Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate
TL;DR: Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate (CAS 5869-60-3) 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-[(4-chlorophenyl)diazenyl]-3-oxobutanoate
Also Known As: 4-Chlor-phenyl-azo-acetessigester, 4-Chlor-phenyl-azo-acetessigester [German], 2-((p-Chlorophenyl)azo)-3-oxobutyric acid ethyl ester, ethyl 2-[(4-chlorophenyl)diazenyl]-3-oxobutanoate, Butanoic acid, 2-((4-chlorophenyl)azo)-3-oxo-, ethyl ester
| 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 | 325.0 |
Chemical Identifiers
| CAS Number | 5869-60-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)Cl |
| InChIKey | PXAXDTSHPSUWIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate (CAS 5869-60-3), with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)diazenyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate
Property Insights of Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate
The XLogP value of 3.0 indicates that Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate 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 Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate 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 Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate?
The CAS number of Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate is 5869-60-3.
What is the molecular formula of Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate?
The molecular formula of Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate is C12H13ClN2O3.
What is the molecular weight of Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate?
The molecular weight of Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate is 268.06 g/mol.
Where can I buy Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate?
You can request a quote for Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.