2-(4-Trifluoromethoxy-phenyl)-benzothiazole
TL;DR: 2-(4-Trifluoromethoxy-phenyl)-benzothiazole (CAS 831242-63-8) is a chemical compound with molecular formula C14H8F3NOS and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole
Also Known As: 2-(4-TRIFLUOROMETHOXY-PHENYL)-BENZOTHIAZOLE, 2-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole, Benzothiazole,2-[4-(trifluoromethoxy)phenyl]-, 2-(4-(trifluoromethoxy)phenyl)benzothiazole, 2-(4-trifluoromethoxyphenyl)benzo[d]thiazole
| Molecular Formula | C14H8F3NOS |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 4.8619 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.02786 |
| Heavy Atoms | 20 |
| Complexity | 701.00885 |
Chemical Identifiers
| CAS Number | 831242-63-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC(F)(F)F |
Product Overview
2-(4-Trifluoromethoxy-phenyl)-benzothiazole (CAS 831242-63-8), with molecular formula C14H8F3NOS and molecular weight 295.03 g/mol. IUPAC: 2-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole.
Chemical Property Profile of 2-(4-Trifluoromethoxy-phenyl)-benzothiazole
Property Insights of 2-(4-Trifluoromethoxy-phenyl)-benzothiazole
The XLogP value of 4.8619 indicates that 2-(4-Trifluoromethoxy-phenyl)-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 2-(4-Trifluoromethoxy-phenyl)-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Trifluoromethoxy-phenyl)-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 2-(4-Trifluoromethoxy-phenyl)-benzothiazole?
The CAS number of 2-(4-Trifluoromethoxy-phenyl)-benzothiazole is 831242-63-8.
What is the molecular formula of 2-(4-Trifluoromethoxy-phenyl)-benzothiazole?
The molecular formula of 2-(4-Trifluoromethoxy-phenyl)-benzothiazole is C14H8F3NOS.
What is the molecular weight of 2-(4-Trifluoromethoxy-phenyl)-benzothiazole?
The molecular weight of 2-(4-Trifluoromethoxy-phenyl)-benzothiazole is 295.03 g/mol.
Where can I buy 2-(4-Trifluoromethoxy-phenyl)-benzothiazole?
You can request a quote for 2-(4-Trifluoromethoxy-phenyl)-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Trifluoromethoxy-phenyl)-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Trifluoromethoxy-phenyl)-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.