![2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid structure](/static/products/7917/791795-65-8.webp)
2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid
TL;DR: 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid (CAS 791795-65-8) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamoyl]benzoic acid
Also Known As: 2-({4-[(diallylamino)sulfonyl]anilino}carbonyl)benzoic acid, AN-329/42667869, 2-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamoyl]benzoic acid, 2-((4-(N,N-Diallylsulfamoyl)phenyl)carbamoyl)benzoic acid, 2-[({4-[(diallylamino)sulfonyl]phenyl}amino)carbonyl]benzoic acid
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 2.9998 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 987.51105 |
Chemical Identifiers
| CAS Number | 791795-65-8 |
|---|---|
| SMILES | C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid (CAS 791795-65-8), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: 2-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid
Property Insights of 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid
The XLogP value of 2.9998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic 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 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid?
The CAS number of 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid is 791795-65-8.
What is the molecular formula of 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid?
The molecular formula of 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid is C20H20N2O5S.
What is the molecular weight of 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid?
The molecular weight of 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid is 400.11 g/mol.
Where can I buy 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid?
You can request a quote for 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(Diallylamino)sulfonyl]anilino}carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.