2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
TL;DR: 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one (CAS 727664-91-7) is a chemical compound with molecular formula C15H12FNOS and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
Also Known As: 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydro-1,2-benzothiazol-3-one, 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one, 2-(2,5-DIMETHYLPHENYL)-6-FLUOROBENZO[D]ISOTHIAZOL-3(2H)-ONE, BRD-K67258146-001-01-2, A3738/0158381
| Molecular Formula | C15H12FNOS |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 3.80814 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.06238 |
| Heavy Atoms | 19 |
| Complexity | 831.7681 |
Chemical Identifiers
| CAS Number | 727664-91-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)C3=C(S2)C=C(C=C3)F |
Product Overview
2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one (CAS 727664-91-7), with molecular formula C15H12FNOS and molecular weight 273.06 g/mol. IUPAC: 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
Property Insights of 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
The XLogP value of 3.80814 indicates that 2-(2,5-Dimethylphenyl)-6-fluoro-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-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-Dimethylphenyl)-6-fluoro-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-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one?
The CAS number of 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one is 727664-91-7.
What is the molecular formula of 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one?
The molecular formula of 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one is C15H12FNOS.
What is the molecular weight of 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one?
The molecular weight of 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one is 273.06 g/mol.
Where can I buy 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one?
You can request a quote for 2-(2,5-Dimethylphenyl)-6-fluoro-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-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.