1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol (CAS 720676-99-3) is a chemical compound with molecular formula C16H11N3OS and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol, TimTec1_007373, 1-(Benzo[d]thiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one, 1-benzothiazol-2-yl-3-phenylpyrazol-5-ol
| Molecular Formula | C16H11N3OS |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0623 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 720676-99-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4S3 |
| InChIKey | USKNSFTWIPDZFI-UHFFFAOYSA-N |
Product Overview
1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol (CAS 720676-99-3), with molecular formula C16H11N3OS and molecular weight 293.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
The XLogP value of 3.9 indicates that 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 4 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 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol is 720676-99-3.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol is C16H11N3OS.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol is 293.06 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-phenyl-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 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.