![N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide structure](/static/products/6932/693270-24-5.webp)
N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
TL;DR: N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide (CAS 693270-24-5) is a chemical compound with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
Also Known As: N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide, N-[[4-ethyl-5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide, N-[[4-Ethyl-5-[[2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide, N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
| Molecular Formula | C22H24N6O5S |
|---|---|
| Molecular Weight | 484.15 g/mol |
| LogP | 3.18402 |
| Topological Polar Surface Area | 141.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.1529 |
| Heavy Atoms | 34 |
| Complexity | 1212.2458 |
Chemical Identifiers
| CAS Number | 693270-24-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CNC(=O)C3=CC=CC(=C3)C |
Product Overview
N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide (CAS 693270-24-5), with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol. IUPAC: N-[[4-ethyl-5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
Chemical Property Profile of N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Property Insights of N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
The XLogP value of 3.18402 indicates that N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.28 Ų indicates high polarity, suggesting N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide has 2 hydrogen bond donor(s) and 8 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-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide?
The CAS number of N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide is 693270-24-5.
What is the molecular formula of N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide?
The molecular formula of N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide is C22H24N6O5S.
What is the molecular weight of N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide?
The molecular weight of N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide is 484.15 g/mol.
Where can I buy N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide?
You can request a quote for N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.