1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol (CAS 106690-13-5) is a chemical compound with molecular formula C15H17N3OS and molecular weight 287.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one
Also Known As: NIOSH/UR0180000, 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol, 1-(2-Benzothiazolyl)-4-butyl-3-methyl-5-pyrazolol, 4-Butyl-1-(2'-benzothiazolyl)-3-methylpyrazol-5-ol, Pyrazol-5-ol, 1-(2-benzothiazolyl)-4-butyl-3-methyl-
Technical Specifications
| Molecular Formula | C15H17N3OS |
| Molecular Weight | 287.10922 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.10922 Da |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
| SMILES | CCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C |
| InChIKey | WPBBXYVQSWQQGQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol
The XLogP value of 4.5 indicates that 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-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)-4-butyl-3-methyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-4-butyl-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)-4-butyl-3-methyl-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol is 106690-13-5.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol is C15H17N3OS.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol is 287.10922 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-4-butyl-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)-4-butyl-3-methyl-1H-pyrazol-5-ol?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.