1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol (CAS 890593-50-7) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 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-propan-2-yl-1H-pyrazol-3-one
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol, 1-benzothiazol-2-yl-3-(methylethyl)pyrazol-5-ol, 1-(benzo[d]thiazol-2-yl)-3-isopropyl-1H-pyrazol-5-ol, 1-(1,3-benzothiazol-2-yl)-3-isopropyl-1h-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazol-3-one
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.8987 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 717.77563 |
Chemical Identifiers
| CAS Number | 890593-50-7 |
|---|---|
| SMILES | CC(C)C1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2 |
Product Overview
1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol (CAS 890593-50-7), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol
The XLogP value of 2.8987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 50.68 Ų, 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-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)-3-(propan-2-yl)-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)-3-(propan-2-yl)-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol is 890593-50-7.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol is C13H13N3OS.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol is 259.08 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-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-(propan-2-yl)-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.