2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide
TL;DR: 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide (CAS 1039030-66-4) is a chemical compound with molecular formula C23H24ClN7OS and molecular weight 481.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide, 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide, 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide, 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-[6-me thyl-2-(methylethyl)phenyl]acetamide
| Molecular Formula | C23H24ClN7OS |
|---|---|
| Molecular Weight | 481.15 g/mol |
| LogP | 4.86502 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.14517 |
| Heavy Atoms | 33 |
| Complexity | 1280.4644 |
Chemical Identifiers
| CAS Number | 1039030-66-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)Cl |
Product Overview
2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide (CAS 1039030-66-4), with molecular formula C23H24ClN7OS and molecular weight 481.15 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide
Property Insights of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide
The XLogP value of 4.86502 indicates that 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide has 3 hydrogen bond donor(s) and 6 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 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide is 1039030-66-4.
What is the molecular formula of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide is C23H24ClN7OS.
What is the molecular weight of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide is 481.15 g/mol.
Where can I buy 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropyl-6-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.