5-Benzothiazolamine, 2-(4-aminophenyl)-
TL;DR: 5-Benzothiazolamine, 2-(4-aminophenyl)- (CAS 5331-28-2) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)-1,3-benzothiazol-5-amine
Also Known As: 5-benzothiazolamine, 2-(4-aminophenyl)-, 2-(4-aminophenyl)-1,3-benzothiazol-5-amine, BAS 00834396, 2-(4-aminophenyl)benzothiazole-5-ylamine, 5-amino-2-(4'-aminophenyl)-benzthiazole
| Molecular Formula | C13H11N3S |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.06737 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 5331-28-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)N)N |
| InChIKey | IWQSVMPGXSAKEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzothiazolamine, 2-(4-aminophenyl)- (CAS 5331-28-2), with molecular formula C13H11N3S and molecular weight 241.07 g/mol. IUPAC: 2-(4-aminophenyl)-1,3-benzothiazol-5-amine.
Chemical Property Profile of 5-Benzothiazolamine, 2-(4-aminophenyl)-
Property Insights of 5-Benzothiazolamine, 2-(4-aminophenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzothiazolamine, 2-(4-aminophenyl)-. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzothiazolamine, 2-(4-aminophenyl)-. Following Lipinski's Rule of Five, 5-Benzothiazolamine, 2-(4-aminophenyl)- has 2 hydrogen bond donor(s) and 4 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-Benzothiazolamine, 2-(4-aminophenyl)-?
The CAS number of 5-Benzothiazolamine, 2-(4-aminophenyl)- is 5331-28-2.
What is the molecular formula of 5-Benzothiazolamine, 2-(4-aminophenyl)-?
The molecular formula of 5-Benzothiazolamine, 2-(4-aminophenyl)- is C13H11N3S.
What is the molecular weight of 5-Benzothiazolamine, 2-(4-aminophenyl)-?
The molecular weight of 5-Benzothiazolamine, 2-(4-aminophenyl)- is 241.07 g/mol.
Where can I buy 5-Benzothiazolamine, 2-(4-aminophenyl)-?
You can request a quote for 5-Benzothiazolamine, 2-(4-aminophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzothiazolamine, 2-(4-aminophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzothiazolamine, 2-(4-aminophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.