![N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide structure](/static/products/511/511308-22-8.png)
N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
TL;DR: N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide (CAS 511308-22-8) 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.
N-[4-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide, N-(4-(4-methyl-5-((2-(4-nitrophenyl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)acetamide, N-[4-(4-METHYL-5-{[2-(4-NITROPHENYL)-2-OXOETHYL]SULFANYL}-1,2,4-TRIAZOL-3-YL)PHENYL]ACETAMIDE, N-[4-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide
| Molecular Formula | C19H17N5O4S |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 3.3237 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.10013 |
| Heavy Atoms | 29 |
| Complexity | 1061.2085 |
Chemical Identifiers
| CAS Number | 511308-22-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide (CAS 511308-22-8), with molecular formula C19H17N5O4S and molecular weight 411.10 g/mol. IUPAC: N-[4-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
Property Insights of N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
The XLogP value of 3.3237 indicates that N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]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 N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide. Following Lipinski's Rule of Five, N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]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 N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide?
The CAS number of N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide is 511308-22-8.
What is the molecular formula of N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide?
The molecular formula of N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide is C19H17N5O4S.
What is the molecular weight of N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide?
The molecular weight of N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide is 411.10 g/mol.
Where can I buy N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide?
You can request a quote for N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.