methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689750-42-3) is a chemical compound with molecular formula C17H15FN4O4S and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl ({4-(4-fluorophenyl)-5-[(2-furoylamino)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate
| Molecular Formula | C17H15FN4O4S |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | 2.1945 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.0798 |
| Heavy Atoms | 27 |
| Complexity | 925.0738 |
Chemical Identifiers
| CAS Number | 689750-42-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CO3 |
Product Overview
methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689750-42-3), with molecular formula C17H15FN4O4S and molecular weight 390.08 g/mol. IUPAC: methyl 2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 2.1945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate has 1 hydrogen bond donor(s) and 7 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-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 689750-42-3.
What is the molecular formula of methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate is C17H15FN4O4S.
What is the molecular weight of methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 390.08 g/mol.
Where can I buy methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)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-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.