![2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide structure](/static/products/5444/5444-73-5.webp)
2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide
TL;DR: 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide (CAS 5444-73-5) is a chemical compound with molecular formula C19H17N5O4S and molecular weight 411.10 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-phenylacetamide
Also Known As: 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide, 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide, 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide
| Molecular Formula | C19H17N5O4S |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 2.8795 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.10013 |
| Heavy Atoms | 29 |
| Complexity | 1051.7628 |
Chemical Identifiers
| CAS Number | 5444-73-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3 |
Product Overview
2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide (CAS 5444-73-5), with molecular formula C19H17N5O4S and molecular weight 411.10 g/mol. IUPAC: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide.
Chemical Property Profile of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide
Property Insights of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide
The XLogP value of 2.8795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide. 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-phenylacetamide. Following Lipinski's Rule of Five, 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide 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-phenylacetamide?
The CAS number of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide is 5444-73-5.
What is the molecular formula of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide?
The molecular formula of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide is C19H17N5O4S.
What is the molecular weight of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide?
The molecular weight of 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide is 411.10 g/mol.
Where can I buy 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide?
You can request a quote for 2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-phenylacetamide 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-phenylacetamide?
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-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.