Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-
TL;DR: Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- (CAS 72020-13-4) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(methylamino)-5-(methylsulfamoyl)benzoic acid
Also Known As: Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-, 3-Amino-4-(methylamino)-5-((methylamino)sulfonyl)benzoic acid, 3-amino-4-(methylamino)-5-(methylsulfamoyl)benzoic acid, BRN 2150067, RefChem:327187
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -0.0832 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 553.60455 |
Chemical Identifiers
| CAS Number | 72020-13-4 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1S(=O)(=O)NC)C(=O)O)N |
Product Overview
Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- (CAS 72020-13-4), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: 3-amino-4-(methylamino)-5-(methylsulfamoyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-
Property Insights of Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-
The XLogP value of -0.0832 indicates that Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- has 4 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 Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-?
The CAS number of Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- is 72020-13-4.
What is the molecular formula of Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-?
The molecular formula of Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- is C9H13N3O4S.
What is the molecular weight of Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-?
The molecular weight of Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- is 259.06 g/mol.
Where can I buy Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-?
You can request a quote for Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-4-(methylamino)-5-((methylamino)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.