2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-
TL;DR: 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- (CAS 280571-89-3) is a chemical compound with molecular formula C18H16FN3O4 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-, (Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]prop-2-en-1-one, 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one, 1-{5-[(4-FLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXY-3-[5-(METHOXYMETHYL)-1H-1,2,4-TRIAZOL-3-YL]PROP-2-EN-1-ONE, 2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-
| Molecular Formula | C18H16FN3O4 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.1125 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 280571-89-3 |
|---|---|
| SMILES | COCC1=NC(=NN1)C(=CC(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)O |
| InChIKey | VJMCJYDVPBMENA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- (CAS 280571-89-3), with molecular formula C18H16FN3O4 and molecular weight 357.11 g/mol. IUPAC: 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-
Property Insights of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- has 2 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 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-?
The CAS number of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- is 280571-89-3.
What is the molecular formula of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-?
The molecular formula of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- is C18H16FN3O4.
What is the molecular weight of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-?
The molecular weight of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- is 357.11 g/mol.
Where can I buy 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-?
You can request a quote for 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.