![N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide structure](/static/products/6932/693264-95-8.webp)
N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide
TL;DR: N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide (CAS 693264-95-8) is a chemical compound with molecular formula C22H24FN5O2S and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide
Also Known As: N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide, N-[1-[4-ethyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide
| Molecular Formula | C22H24FN5O2S |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 3.96732 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.16348 |
| Heavy Atoms | 31 |
| Complexity | 1050.7682 |
Chemical Identifiers
| CAS Number | 693264-95-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C(C)NC(=O)C3=CC=C(C=C3)C |
Product Overview
N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide (CAS 693264-95-8), with molecular formula C22H24FN5O2S and molecular weight 441.16 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide.
Chemical Property Profile of N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide
Property Insights of N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide
The XLogP value of 3.96732 indicates that N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide. Following Lipinski's Rule of Five, N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide has 2 hydrogen bond donor(s) and 5 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-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide?
The CAS number of N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide is 693264-95-8.
What is the molecular formula of N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide?
The molecular formula of N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide is C22H24FN5O2S.
What is the molecular weight of N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide?
The molecular weight of N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide is 441.16 g/mol.
Where can I buy N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide?
You can request a quote for N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.