2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one
TL;DR: 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one (CAS 565166-89-4) is a chemical compound with molecular formula C13H7ClFNOS and molecular weight 278.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-fluorophenyl)-1,2-benzothiazol-3-one
Also Known As: 2-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one, 2-(3-chloro-4-fluorophenyl)-1,2-benzothiazol-3-one, 2-(3-Chloro-4-fluorophenyl)-1,2-benzisothiazol-3(2H)-one, 2-(3-chloro-4-fluoro-phenyl)-1,2-benzothiazol-3-one, 2-(3-chloranyl-4-fluoranyl-phenyl)-1,2-benzothiazol-3-one
| Molecular Formula | C13H7ClFNOS |
|---|---|
| Molecular Weight | 278.99 g/mol |
| LogP | 3.8447 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.9921 |
| Heavy Atoms | 18 |
| Complexity | 793.03076 |
Chemical Identifiers
| CAS Number | 565166-89-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2)C3=CC(=C(C=C3)F)Cl |
Product Overview
2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one (CAS 565166-89-4), with molecular formula C13H7ClFNOS and molecular weight 278.99 g/mol. IUPAC: 2-(3-chloro-4-fluorophenyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one
Property Insights of 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one
The XLogP value of 3.8447 indicates that 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one 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-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
The CAS number of 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one is 565166-89-4.
What is the molecular formula of 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
The molecular formula of 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one is C13H7ClFNOS.
What is the molecular weight of 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
The molecular weight of 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one is 278.99 g/mol.
Where can I buy 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
You can request a quote for 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-4-fluorophenyl)-2,3-dihydro-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.