![2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide structure](/static/products/7673/767326-87-4.webp)
2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide
TL;DR: 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide (CAS 767326-87-4) is a chemical compound with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
Also Known As: 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide, 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C20H19N5O4S |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 3.18792 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.11578 |
| Heavy Atoms | 30 |
| Complexity | 1112.0812 |
Chemical Identifiers
| CAS Number | 767326-87-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide (CAS 767326-87-4), with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol. IUPAC: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide
Property Insights of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide
The XLogP value of 3.18792 indicates that 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide has 1 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-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide?
The CAS number of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide is 767326-87-4.
What is the molecular formula of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide?
The molecular formula of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide is C20H19N5O4S.
What is the molecular weight of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide?
The molecular weight of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide is 425.12 g/mol.
Where can I buy 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide?
You can request a quote for 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-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-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.