![N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide structure](/static/products/5413/5413-81-0.webp)
N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
TL;DR: N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide (CAS 5413-81-0) is a chemical compound with molecular formula C23H26FN5O3S and molecular weight 471.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
Also Known As: N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide, N-[1-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
| Molecular Formula | C23H26FN5O3S |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 4.0576 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.17404 |
| Heavy Atoms | 33 |
| Complexity | 1103.7312 |
Chemical Identifiers
| CAS Number | 5413-81-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C(C)NC(=O)C3=CC=CC=C3F |
Product Overview
N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide (CAS 5413-81-0), with molecular formula C23H26FN5O3S and molecular weight 471.17 g/mol. IUPAC: N-[1-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide.
Chemical Property Profile of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Property Insights of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
The XLogP value of 4.0576 indicates that N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide has 2 hydrogen bond donor(s) and 6 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-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide?
The CAS number of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide is 5413-81-0.
What is the molecular formula of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide?
The molecular formula of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide is C23H26FN5O3S.
What is the molecular weight of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide?
The molecular weight of N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide is 471.17 g/mol.
Where can I buy N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide?
You can request a quote for N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(5-{[2-(4-Ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.