Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-
TL;DR: Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- (CAS 5401-86-5) is a chemical compound with molecular formula C14H13N3O6S and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-methyl-5-[(3-nitrobenzoyl)amino]benzenesulfonic acid
Also Known As: 3-Amino-4-methyl-5-[(3-nitrobenzoyl)amino]benzenesulfonic acid, 3-Amino-5-(m-nitrobenzamide)-p-toluenesulfonic acid, Benzenesulfonic acid, 3-amino-4-methyl-5-[(3-nitrobenzoyl)amino]-, 3-Amino-4-methyl-5-((3-nitrobenzoyl)amino)benzenesulfonic acid, Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-
| Molecular Formula | C14H13N3O6S |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.05252 |
| Heavy Atoms | 24 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 5401-86-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)O)N |
| InChIKey | FSLAZGAGXHMWNE-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- (CAS 5401-86-5), with molecular formula C14H13N3O6S and molecular weight 351.05 g/mol. IUPAC: 3-amino-4-methyl-5-[(3-nitrobenzoyl)amino]benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-
Property Insights of Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-. The TPSA of 164.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- has 3 hydrogen bond donor(s) and 7 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 Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-?
The CAS number of Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- is 5401-86-5.
What is the molecular formula of Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-?
The molecular formula of Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- is C14H13N3O6S.
What is the molecular weight of Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-?
The molecular weight of Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- is 351.05 g/mol.
Where can I buy Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-?
You can request a quote for Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.