5-Nitro-2-p-toluidinobenzenesulphonic acid
TL;DR: 5-Nitro-2-p-toluidinobenzenesulphonic acid (CAS 91-28-1) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylanilino)-5-nitrobenzenesulfonic acid
Also Known As: 5-Nitro-2-p-toluidinobenzenesulphonic acid, 2-[(4-methylphenyl)amino]-5-nitrobenzenesulfonic acid, 5-nitro-2-p-toluidinobenzensulfonsyre, 5-Nitro-2-p-toluidinobenzenesulfonic acid, 2-(4-methylanilino)-5-nitrobenzenesulfonic acid
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 91-28-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | IXEBWGZZXCGASZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-p-toluidinobenzenesulphonic acid (CAS 91-28-1), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: 2-(4-methylanilino)-5-nitrobenzenesulfonic acid.
Chemical Property Profile of 5-Nitro-2-p-toluidinobenzenesulphonic acid
Property Insights of 5-Nitro-2-p-toluidinobenzenesulphonic acid
The XLogP value of 3.0 indicates that 5-Nitro-2-p-toluidinobenzenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-p-toluidinobenzenesulphonic acid. Following Lipinski's Rule of Five, 5-Nitro-2-p-toluidinobenzenesulphonic acid has 2 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 5-Nitro-2-p-toluidinobenzenesulphonic acid?
The CAS number of 5-Nitro-2-p-toluidinobenzenesulphonic acid is 91-28-1.
What is the molecular formula of 5-Nitro-2-p-toluidinobenzenesulphonic acid?
The molecular formula of 5-Nitro-2-p-toluidinobenzenesulphonic acid is C13H12N2O5S.
What is the molecular weight of 5-Nitro-2-p-toluidinobenzenesulphonic acid?
The molecular weight of 5-Nitro-2-p-toluidinobenzenesulphonic acid is 308.05 g/mol.
Where can I buy 5-Nitro-2-p-toluidinobenzenesulphonic acid?
You can request a quote for 5-Nitro-2-p-toluidinobenzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-p-toluidinobenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-p-toluidinobenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.