![(E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid structure](/static/products/6972/6972-54-9.webp)
(E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid (CAS 6972-54-9) is a chemical compound with molecular formula C12H12N2O6S and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid, (2E)-4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobut-2-enoic acid, 3-{[4-(ethanesulfonyl)phenyl]carbamoyl}prop-2-enoic acid, (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxo-but-2-enoic acid, 2-butenoic acid, 4-[[4-[(acetylamino)sulfonyl]phenyl]amino]-4-oxo-,(2e)-
| Molecular Formula | C12H12N2O6S |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0416 |
| Heavy Atoms | 21 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 6972-54-9 |
|---|---|
| SMILES | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C(=O)O |
| InChIKey | XNJBIHVSRVILJD-VOTSOKGWSA-N |
Product Overview
(E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid (CAS 6972-54-9), with molecular formula C12H12N2O6S and molecular weight 312.04 g/mol. IUPAC: (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid
The XLogP value of -1.3 indicates that (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid has 3 hydrogen bond donor(s) and 6 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 (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid is 6972-54-9.
What is the molecular formula of (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid is C12H12N2O6S.
What is the molecular weight of (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid is 312.04 g/mol.
Where can I buy (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[4-(acetylsulfamoyl)anilino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.