4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol
TL;DR: 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol (CAS 92537-80-9) is a chemical compound with molecular formula C11H7ClFN3OS and molecular weight 283.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one
Also Known As: 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol, 1H-Pyrazol-5-ol, 4-chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-, 4-Chloro-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 4-chloro-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one, RefChem:1070474
| Molecular Formula | C11H7ClFN3OS |
|---|---|
| Molecular Weight | 283.00 g/mol |
| LogP | 2.87622 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.99823 |
| Heavy Atoms | 18 |
| Complexity | 804.3212 |
Chemical Identifiers
| CAS Number | 92537-80-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)F)Cl |
Product Overview
4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol (CAS 92537-80-9), with molecular formula C11H7ClFN3OS and molecular weight 283.00 g/mol. IUPAC: 4-chloro-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol
Property Insights of 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol
The XLogP value of 2.87622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 50.68 Ų, 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol 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 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol?
The CAS number of 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol is 92537-80-9.
What is the molecular formula of 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol?
The molecular formula of 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol is C11H7ClFN3OS.
What is the molecular weight of 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol?
The molecular weight of 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol is 283.00 g/mol.
Where can I buy 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol?
You can request a quote for 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-(6-fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.