![4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid structure](/static/products/7917/791795-66-9.webp)
4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid
TL;DR: 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid (CAS 791795-66-9) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
Also Known As: AN-329/42667870, 4-{4-[(diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid, (E)-4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid, (E)-4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid, 4-({4-[(diallylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoic acid
| Molecular Formula | C16H18N2O5S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 1.6286 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 350.09363 |
| Heavy Atoms | 24 |
| Complexity | 741.17737 |
Chemical Identifiers
| CAS Number | 791795-66-9 |
|---|---|
| SMILES | C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C(=O)O |
Product Overview
4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid (CAS 791795-66-9), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: (E)-4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid
Property Insights of 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid
The XLogP value of 1.6286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid has 2 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 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid?
The CAS number of 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid is 791795-66-9.
What is the molecular formula of 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid?
The molecular formula of 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid is C16H18N2O5S.
What is the molecular weight of 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid?
The molecular weight of 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid is 350.09 g/mol.
Where can I buy 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid?
You can request a quote for 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[(Diallylamino)sulfonyl]anilino}-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.