6-Fluoro-2-phenyl-1,3-benzothiazole
TL;DR: 6-Fluoro-2-phenyl-1,3-benzothiazole (CAS 1629-94-3) is a chemical compound with molecular formula C13H8FNS and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-2-phenyl-1,3-benzothiazole
Also Known As: 6-fluoro-2-phenyl-1,3-benzothiazole, 2-phenyl-6-fluorobenzothiazole, 6-Fluoro-2-phenylbenzothiazole, Benzothiazole,6-fluoro-2-phenyl-, Benzothiazole, 6-fluoro-2-phenyl-
| Molecular Formula | C13H8FNS |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.03615 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1629-94-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)F |
| InChIKey | MBDZJNBYKCQZLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Fluoro-2-phenyl-1,3-benzothiazole (CAS 1629-94-3), with molecular formula C13H8FNS and molecular weight 229.04 g/mol. IUPAC: 6-fluoro-2-phenyl-1,3-benzothiazole.
Chemical Property Profile of 6-Fluoro-2-phenyl-1,3-benzothiazole
Property Insights of 6-Fluoro-2-phenyl-1,3-benzothiazole
The XLogP value of 4.4 indicates that 6-Fluoro-2-phenyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 6-Fluoro-2-phenyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoro-2-phenyl-1,3-benzothiazole has 0 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 6-Fluoro-2-phenyl-1,3-benzothiazole?
The CAS number of 6-Fluoro-2-phenyl-1,3-benzothiazole is 1629-94-3.
What is the molecular formula of 6-Fluoro-2-phenyl-1,3-benzothiazole?
The molecular formula of 6-Fluoro-2-phenyl-1,3-benzothiazole is C13H8FNS.
What is the molecular weight of 6-Fluoro-2-phenyl-1,3-benzothiazole?
The molecular weight of 6-Fluoro-2-phenyl-1,3-benzothiazole is 229.04 g/mol.
Where can I buy 6-Fluoro-2-phenyl-1,3-benzothiazole?
You can request a quote for 6-Fluoro-2-phenyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluoro-2-phenyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-2-phenyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.