Benzothiazole, 5-amino-2-phenyl-
TL;DR: Benzothiazole, 5-amino-2-phenyl- (CAS 43087-91-8) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-benzothiazol-5-amine
Also Known As: FABT [Czech], FABT, FABT[Czech], 5-Amino-2-phenylbenothiazole, 2-Fenyl-5-aminobenzthiazol
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 43087-91-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)N |
| InChIKey | GPBQVPZBUKXEJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 5-amino-2-phenyl- (CAS 43087-91-8), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 2-phenyl-1,3-benzothiazol-5-amine.
Chemical Property Profile of Benzothiazole, 5-amino-2-phenyl-
Property Insights of Benzothiazole, 5-amino-2-phenyl-
The XLogP value of 3.6 indicates that Benzothiazole, 5-amino-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 5-amino-2-phenyl-. Following Lipinski's Rule of Five, Benzothiazole, 5-amino-2-phenyl- has 1 hydrogen bond donor(s) and 3 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 Benzothiazole, 5-amino-2-phenyl-?
The CAS number of Benzothiazole, 5-amino-2-phenyl- is 43087-91-8.
What is the molecular formula of Benzothiazole, 5-amino-2-phenyl-?
The molecular formula of Benzothiazole, 5-amino-2-phenyl- is C13H10N2S.
What is the molecular weight of Benzothiazole, 5-amino-2-phenyl-?
The molecular weight of Benzothiazole, 5-amino-2-phenyl- is 226.06 g/mol.
Where can I buy Benzothiazole, 5-amino-2-phenyl-?
You can request a quote for Benzothiazole, 5-amino-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 5-amino-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 5-amino-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.