![N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide structure](/static/products/6938/693811-73-3.webp)
N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide
TL;DR: N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide (CAS 693811-73-3) is a chemical compound with molecular formula C21H22FN5O2S and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide
Also Known As: N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide, N-[1-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide
| Molecular Formula | C21H22FN5O2S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.48442 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.14783 |
| Heavy Atoms | 30 |
| Complexity | 1051.8052 |
Chemical Identifiers
| CAS Number | 693811-73-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)F |
Product Overview
N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide (CAS 693811-73-3), with molecular formula C21H22FN5O2S and molecular weight 427.15 g/mol. IUPAC: N-[1-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide.
Chemical Property Profile of N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide
Property Insights of N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide
The XLogP value of 3.48442 indicates that N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-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-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide. Following Lipinski's Rule of Five, N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-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-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
The CAS number of N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide is 693811-73-3.
What is the molecular formula of N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
The molecular formula of N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide is C21H22FN5O2S.
What is the molecular weight of N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
The molecular weight of N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide is 427.15 g/mol.
Where can I buy N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
You can request a quote for N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-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-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.