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 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-
| Molecular Formula | C15H17N3OS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 3.42632 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.10922 |
| Heavy Atoms | 20 |
| Complexity | 763.90643 |
Chemical Identifiers
| CAS Number | 106690-13-5 |
|---|---|
| SMILES | CCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C |
Product Overview
1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol (CAS 106690-13-5), with molecular formula C15H17N3OS and molecular weight 287.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one.
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 3.42632 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. With a topological polar surface area (TPSA) of 50.68 Ų, 1-(1,3-benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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 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 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 287.11 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 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)-4-butyl-3-methyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO 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.