Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate
TL;DR: Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate (CAS 69546-04-9) is a chemical compound with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanoate
Also Known As: NCI60_016640, Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate, ethyl 3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanoate, ethyl 3-oxo-2-[(e)-(4-sulfamoylphenyl)diazenyl]butanoate, ethyl 3-oxo-2-[(E)-(4-sulfamoylphenyl)azo]butanoate
| Molecular Formula | C12H15N3O5S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.07324 |
| Heavy Atoms | 21 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 69546-04-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)S(=O)(=O)N |
| InChIKey | OPFIYHKEUYUKOO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate (CAS 69546-04-9), with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol. IUPAC: ethyl 3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanoate.
Chemical Property Profile of Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate
Property Insights of Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate has 1 hydrogen bond donor(s) and 8 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-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate?
The CAS number of Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate is 69546-04-9.
What is the molecular formula of Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate?
The molecular formula of Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate is C12H15N3O5S.
What is the molecular weight of Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate?
The molecular weight of Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate is 313.07 g/mol.
Where can I buy Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate?
You can request a quote for Ethyl 2-((4-(aminosulfonyl)phenyl)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-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.