Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-
TL;DR: Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro- (CAS 72034-20-9) is a chemical compound with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylamino)-3-(methylsulfamoyl)-5-nitrobenzoic acid
Also Known As: Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-, 4-(Methylamino)-3-((methylamino)sulfonyl)-5-nitrobenzoic acid, 4-(methylamino)-3-(methylsulfamoyl)-5-nitrobenzoic acid, BRN 2172003, RefChem:327495
| Molecular Formula | C9H11N3O6S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 0.2428 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.03687 |
| Heavy Atoms | 19 |
| Complexity | 639.60016 |
Chemical Identifiers
| CAS Number | 72034-20-9 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1S(=O)(=O)NC)C(=O)O)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro- (CAS 72034-20-9), with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol. IUPAC: 4-(methylamino)-3-(methylsulfamoyl)-5-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-
Property Insights of Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-
The XLogP value of 0.2428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-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, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-?
The CAS number of Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro- is 72034-20-9.
What is the molecular formula of Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-?
The molecular formula of Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro- is C9H11N3O6S.
What is the molecular weight of Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-?
The molecular weight of Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro- is 289.04 g/mol.
Where can I buy Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-?
You can request a quote for Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-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, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.