methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689747-93-1) is a chemical compound with molecular formula C14H15FN4O3S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, F0601-0030, methyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-[(5-{[(3-fluorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C14H15FN4O3S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 1.1493 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.0849 |
| Heavy Atoms | 23 |
| Complexity | 719.798 |
Chemical Identifiers
| CAS Number | 689747-93-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC(=CC=C2)F |
Product Overview
methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689747-93-1), with molecular formula C14H15FN4O3S and molecular weight 338.08 g/mol. IUPAC: methyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 1.1493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)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-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is 689747-93-1.
What is the molecular formula of methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is C14H15FN4O3S.
What is the molecular weight of methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is 338.08 g/mol.
Where can I buy methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)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-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.