2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
TL;DR: 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone (CAS 879441-17-5) is a chemical compound with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone, 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-1-phen ylethan-1-one
| Molecular Formula | C20H18N6O2S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.0326 |
| Topological Polar Surface Area | 111.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.1212 |
| Heavy Atoms | 29 |
| Complexity | 1121.6012 |
Chemical Identifiers
| CAS Number | 879441-17-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)C4=CC=CC=C4 |
Product Overview
2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone (CAS 879441-17-5), with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
Property Insights of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
The XLogP value of 3.0326 indicates that 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone has 2 hydrogen bond donor(s) and 7 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-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The CAS number of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is 879441-17-5.
What is the molecular formula of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The molecular formula of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is C20H18N6O2S.
What is the molecular weight of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The molecular weight of 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone is 406.12 g/mol.
Where can I buy 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
You can request a quote for 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone 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-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.