Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-
TL;DR: Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- (CAS 72020-09-8) is a chemical compound with molecular formula C8H9N3O6S and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylamino)-3-nitro-5-sulfamoylbenzoic acid
Also Known As: 3-(Aminosulfonyl)-4-(methylamino)-5-nitrobenzoic acid, Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-, 4-(methylamino)-3-nitro-5-sulfamoylbenzoic acid, RefChem:327151
| Molecular Formula | C8H9N3O6S |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | -0.0179 |
| Topological Polar Surface Area | 152.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0212 |
| Heavy Atoms | 18 |
| Complexity | 623.9646 |
Chemical Identifiers
| CAS Number | 72020-09-8 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-] |
Product Overview
Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- (CAS 72020-09-8), with molecular formula C8H9N3O6S and molecular weight 275.02 g/mol. IUPAC: 4-(methylamino)-3-nitro-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-
Property Insights of Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-
The XLogP value of -0.0179 indicates that Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.63 Ų indicates high polarity, suggesting Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- 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 Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-?
The CAS number of Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- is 72020-09-8.
What is the molecular formula of Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-?
The molecular formula of Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- is C8H9N3O6S.
What is the molecular weight of Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-?
The molecular weight of Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- is 275.02 g/mol.
Where can I buy Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro-?
You can request a quote for Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- 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-(aminosulfonyl)-4-(methylamino)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(aminosulfonyl)-4-(methylamino)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.