2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 92537-77-4) is a chemical compound with molecular formula C11H8FN3OS and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one
Also Known As: 1-Amino-5-oxa-3-thiahexane, 1H-Pyrazol-5-ol, 1-(6-fluoro-2-benzothiazolyl)-3-methyl-, 1-(6-Fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol, 2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one, 1-(6-Fluorobenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-ol
| Molecular Formula | C11H8FN3OS |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 2.22282 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.03722 |
| Heavy Atoms | 17 |
| Complexity | 755.501 |
Chemical Identifiers
| CAS Number | 92537-77-4 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)F |
Product Overview
2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 92537-77-4), with molecular formula C11H8FN3OS and molecular weight 249.04 g/mol. IUPAC: 2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 2.22282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 50.68 Ų, 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one has 1 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-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 92537-77-4.
What is the molecular formula of 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is C11H8FN3OS.
What is the molecular weight of 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 249.04 g/mol.
Where can I buy 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-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-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.