![Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- structure](/static/products/6895/68957-42-6.webp)
Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-
TL;DR: Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- (CAS 68957-42-6) is a chemical compound with molecular formula C13H13N3O5S and molecular weight 323.0576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-amino-4-methylanilino)-3-nitrobenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-, 4-[(3-amino-4-methylphenyl)amino]-3-nitrobenzenesulfonic acid, 4-((3-Amino-p-tolyl)amino)-3-nitrobenzenesulphonic acid, Benzenesulfonic acid, 4-((3-amino-4-methylphenyl)amino)-3-nitro-, 4-(3-amino-4-methylanilino)-3-nitrobenzenesulfonic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H13N3O5S |
| Molecular Weight | 323.0576 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0576 Da |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
| SMILES | CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])N |
| InChIKey | LFOSDVFXPFUHBH-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-
Property Insights of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-. The TPSA of 147.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- 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
What is the CAS number of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-?
The CAS number of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- is 68957-42-6.
What is the molecular formula of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-?
The molecular formula of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- is C13H13N3O5S.
What is the molecular weight of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-?
The molecular weight of Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- is 323.0576 g/mol.
Where can I buy Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-?
You can request a quote for Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.