1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol (CAS 313362-05-9) 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-propyl-1H-pyrazol-3-one
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol, ChemDiv2_000453, 1-(Benzo[d]thiazol-2-yl)-3-propyl-1H-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-5-propyl-1H-pyrazol-3-one, 1-benzothiazol-2-yl-3-propylpyrazol-5-ol
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 313362-05-9 |
|---|---|
| SMILES | CCCC1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2 |
| InChIKey | BENHOTHZMXSMGT-UHFFFAOYSA-N |
Product Overview
1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol (CAS 313362-05-9), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol
The XLogP value of 3.4 indicates that 1-(1,3-benzothiazol-2-yl)-3-propyl-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-propyl-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-3-propyl-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-propyl-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol is 313362-05-9.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol is C13H13N3OS.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol is 259.08 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-propyl-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-propyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.