Benzenesulfonic acid, 5-amino-2-(phenylamino)-
TL;DR: Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS 91-30-5) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-anilinobenzenesulfonic acid
Also Known As: 6-Anilinometanilic acid, Nerolsaeure, 5-Amino-2-anilinobenzenesulfonic acid, 4-Amino-2-sulfodiphenylamine, 4-Aminodiphenylamine-2-sulfonic acid
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 91-30-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O |
| InChIKey | HYLOSPCJTPLXSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS 91-30-5), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 5-amino-2-anilinobenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 5-amino-2-(phenylamino)-
Property Insights of Benzenesulfonic acid, 5-amino-2-(phenylamino)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 5-amino-2-(phenylamino)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 5-amino-2-(phenylamino)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 5-amino-2-(phenylamino)- has 3 hydrogen bond donor(s) and 5 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, 5-amino-2-(phenylamino)-?
The CAS number of Benzenesulfonic acid, 5-amino-2-(phenylamino)- is 91-30-5.
What is the molecular formula of Benzenesulfonic acid, 5-amino-2-(phenylamino)-?
The molecular formula of Benzenesulfonic acid, 5-amino-2-(phenylamino)- is C12H12N2O3S.
What is the molecular weight of Benzenesulfonic acid, 5-amino-2-(phenylamino)-?
The molecular weight of Benzenesulfonic acid, 5-amino-2-(phenylamino)- is 264.06 g/mol.
Where can I buy Benzenesulfonic acid, 5-amino-2-(phenylamino)-?
You can request a quote for Benzenesulfonic acid, 5-amino-2-(phenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 5-amino-2-(phenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 5-amino-2-(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.