Anilinobenzothiazole
TL;DR: Anilinobenzothiazole (CAS 21323-24-0) 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.
N-phenyl-1,3-benzothiazol-2-amine
Also Known As: N-Phenyl-1,3-benzothiazol-2-amine, 2-anilinobenzothiazole, Anilinobenzothiazole, N-Phenylbenzo[d]thiazol-2-amine, 2-Benzothiazolamine, N-phenyl-
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
| Solubility | 0.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 21323-24-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2 |
| InChIKey | QDTDFSFRIDFTCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anilinobenzothiazole (CAS 21323-24-0), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: N-phenyl-1,3-benzothiazol-2-amine.
Chemical Property Profile of Anilinobenzothiazole
Property Insights of Anilinobenzothiazole
The XLogP value of 4.1 indicates that Anilinobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, Anilinobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anilinobenzothiazole 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 Anilinobenzothiazole?
The CAS number of Anilinobenzothiazole is 21323-24-0.
What is the molecular formula of Anilinobenzothiazole?
The molecular formula of Anilinobenzothiazole is C13H10N2S.
What is the molecular weight of Anilinobenzothiazole?
The molecular weight of Anilinobenzothiazole is 226.06 g/mol.
Where can I buy Anilinobenzothiazole?
You can request a quote for Anilinobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anilinobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for Anilinobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.