Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-
TL;DR: Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- (CAS 72020-14-5) is a chemical compound with molecular formula C8H11N3O4S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(methylamino)-5-sulfamoylbenzoic acid
Also Known As: Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-, 3-amino-4-(methylamino)-5-sulfamoylbenzoic acid, 3-Amino-5-(aminosulfonyl)-4-(methylamino)benzoic acid, BRN 2139182, RefChem:327195
| Molecular Formula | C8H11N3O4S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | -0.3439 |
| Topological Polar Surface Area | 135.51 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.04703 |
| Heavy Atoms | 16 |
| Complexity | 538.45953 |
Chemical Identifiers
| CAS Number | 72020-14-5 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N |
Product Overview
Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- (CAS 72020-14-5), with molecular formula C8H11N3O4S and molecular weight 245.05 g/mol. IUPAC: 3-amino-4-(methylamino)-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-
Property Insights of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-
The XLogP value of -0.3439 indicates that Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- 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-5-(aminosulfonyl)-4-(methylamino)-?
The CAS number of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- is 72020-14-5.
What is the molecular formula of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-?
The molecular formula of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- is C8H11N3O4S.
What is the molecular weight of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-?
The molecular weight of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- is 245.05 g/mol.
Where can I buy Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)-?
You can request a quote for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- 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-5-(aminosulfonyl)-4-(methylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.