1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one
TL;DR: 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one (CAS 1024480-42-9) is a chemical compound with molecular formula C14H15N3OS and molecular weight 273.09 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-tert-butyl-4H-pyrazol-3-one
Also Known As: 1-benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one, 1-(1,3-benzothiazol-2-yl)-3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one, 2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one, 2-benzothiazol-2-yl-5-tert-butyl-4H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-(tert-butyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C14H15N3OS |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 3.4351 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.0936 |
| Heavy Atoms | 19 |
| Complexity | 648.3011 |
Chemical Identifiers
| CAS Number | 1024480-42-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1)C2=NC3=CC=CC=C3S2 |
Product Overview
1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one (CAS 1024480-42-9), with molecular formula C14H15N3OS and molecular weight 273.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one.
Chemical Property Profile of 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one
Property Insights of 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one
The XLogP value of 3.4351 indicates that 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one has 0 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-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one?
The CAS number of 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one is 1024480-42-9.
What is the molecular formula of 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one?
The molecular formula of 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one is C14H15N3OS.
What is the molecular weight of 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one?
The molecular weight of 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one is 273.09 g/mol.
Where can I buy 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one?
You can request a quote for 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiazol-2-yl-3-(tert-butyl)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.