1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol (CAS 117460-71-6) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one, 1-(2'-benzothiazolyl)-3-methylpyrazol-5-ol, 1-(Benzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-ol, J2.123.328E
Technical Specifications
| Molecular Formula | C11H9N3OS |
| Molecular Weight | 231.04663 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.04663 Da |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
| SMILES | CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2 |
| InChIKey | RFCDWGJVSOXPQD-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-3-methyl-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
What is the CAS number of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol is 117460-71-6.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol is C11H9N3OS.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol is 231.04663 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.