![2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide structure](/static/products/862/862198-09-2.png)
2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide
TL;DR: 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide (CAS 862198-09-2) is a chemical compound with molecular formula C25H24ClN5O3S and molecular weight 509.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(3-nitrophenyl)acetamide
Also Known As: 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide, 2-[5-(tert-butyl)-3-(4-chlorophenyl)-2-methyl(8-hydropyrazolo[1,5-a]pyrimidin- 7-ylthio)]-N-(3-nitrophenyl)acetamide, 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(3-nitrophenyl)acetamide, 2-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
| Molecular Formula | C25H24ClN5O3S |
|---|---|
| Molecular Weight | 509.13 g/mol |
| LogP | 6.29462 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.12885 |
| Heavy Atoms | 35 |
| Complexity | 1427.8092 |
Chemical Identifiers
| CAS Number | 862198-09-2 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide (CAS 862198-09-2), with molecular formula C25H24ClN5O3S and molecular weight 509.13 g/mol. IUPAC: 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide
Property Insights of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide
The XLogP value of 6.29462 indicates that 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide?
The CAS number of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide is 862198-09-2.
What is the molecular formula of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide?
The molecular formula of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide is C25H24ClN5O3S.
What is the molecular weight of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide?
The molecular weight of 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide is 509.13 g/mol.
Where can I buy 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide?
You can request a quote for 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-N-(3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.