2-Chloro-4-fluorobenzothiazole
TL;DR: 2-Chloro-4-fluorobenzothiazole (CAS 182344-56-5) is a chemical compound with molecular formula C7H3ClFNS and molecular weight 186.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-fluoro-1,3-benzothiazole
Also Known As: 2-Chloro-4-fluorobenzothiazole, 2-chloro-4-fluorobenzo[d]thiazole, 2-chloro-4-fluoro-1,3-benzothiazole, Benzothiazole, 2-chloro-4-fluoro-, 2-Chloro-4-fluoro-benzothiazole
| Molecular Formula | C7H3ClFNS |
|---|---|
| Molecular Weight | 186.97 g/mol |
| LogP | 3.0888 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.96588 |
| Heavy Atoms | 11 |
| Complexity | 398.23996 |
Chemical Identifiers
| CAS Number | 182344-56-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC(=N2)Cl)F |
Product Overview
2-Chloro-4-fluorobenzothiazole (CAS 182344-56-5), with molecular formula C7H3ClFNS and molecular weight 186.97 g/mol. IUPAC: 2-chloro-4-fluoro-1,3-benzothiazole.
Chemical Property Profile of 2-Chloro-4-fluorobenzothiazole
Property Insights of 2-Chloro-4-fluorobenzothiazole
The XLogP value of 3.0888 indicates that 2-Chloro-4-fluorobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Chloro-4-fluorobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-fluorobenzothiazole has 0 hydrogen bond donor(s) and 2 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-Chloro-4-fluorobenzothiazole?
The CAS number of 2-Chloro-4-fluorobenzothiazole is 182344-56-5.
What is the molecular formula of 2-Chloro-4-fluorobenzothiazole?
The molecular formula of 2-Chloro-4-fluorobenzothiazole is C7H3ClFNS.
What is the molecular weight of 2-Chloro-4-fluorobenzothiazole?
The molecular weight of 2-Chloro-4-fluorobenzothiazole is 186.97 g/mol.
Where can I buy 2-Chloro-4-fluorobenzothiazole?
You can request a quote for 2-Chloro-4-fluorobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-fluorobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-fluorobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.