![methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/6897/689747-74-8.webp)
methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689747-74-8) is a chemical compound with molecular formula C19H16F2N4O3S and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((5-((2-fluorobenzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C19H16F2N4O3S |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 2.7406 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.09113 |
| Heavy Atoms | 29 |
| Complexity | 1024.5487 |
Chemical Identifiers
| CAS Number | 689747-74-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3F |
Product Overview
methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689747-74-8), with molecular formula C19H16F2N4O3S and molecular weight 418.09 g/mol. IUPAC: methyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 2.7406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 1 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 methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 689747-74-8.
What is the molecular formula of methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C19H16F2N4O3S.
What is the molecular weight of methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 418.09 g/mol.
Where can I buy methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.