5-氨基-2-(对甲苯胺基)苯磺酸
TL;DR: 5-氨基-2-(对甲苯胺基)苯磺酸 (CAS 91-31-6) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氨基-2-(对甲苯胺基)苯磺酸
5-amino-2-(4-methylanilino)benzenesulfonic acid
Also Known As: 5-Amino-2-(p-toluidino)benzenesulphonic acid, 5-Amino-2-p-toluidinobenzenesulfonic acid, 5-amino-2- benzenesulphonicacid, 5-amino-2-(4-methylanilino)benzenesulfonic acid, 5-amino-2-[(4-methylphenyl)amino]benzenesulfonic acid
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 91-31-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O |
| InChIKey | SFRJKPJFXZQVIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氨基-2-(对甲苯胺基)苯磺酸 (CAS 91-31-6), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 5-amino-2-(4-methylanilino)benzenesulfonic acid.
Chemical Property Profile of 5-氨基-2-(对甲苯胺基)苯磺酸
Property Insights of 5-氨基-2-(对甲苯胺基)苯磺酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氨基-2-(对甲苯胺基)苯磺酸. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氨基-2-(对甲苯胺基)苯磺酸. Following Lipinski's Rule of Five, 5-氨基-2-(对甲苯胺基)苯磺酸 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 5-氨基-2-(对甲苯胺基)苯磺酸?
The CAS number of 5-氨基-2-(对甲苯胺基)苯磺酸 is 91-31-6.
What is the molecular formula of 5-氨基-2-(对甲苯胺基)苯磺酸?
The molecular formula of 5-氨基-2-(对甲苯胺基)苯磺酸 is C13H14N2O3S.
What is the molecular weight of 5-氨基-2-(对甲苯胺基)苯磺酸?
The molecular weight of 5-氨基-2-(对甲苯胺基)苯磺酸 is 278.07 g/mol.
Where can I buy 5-氨基-2-(对甲苯胺基)苯磺酸?
You can request a quote for 5-氨基-2-(对甲苯胺基)苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基-2-(对甲苯胺基)苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基-2-(对甲苯胺基)苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.