2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-1H-1,2,4-triazol-3-yl)-
TL;DR: 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- (CAS 280571-91-7) is a chemical compound with molecular formula C19H18FN3O3 and molecular weight 355.13 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-propan-2-yl-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)-, 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one, 2-Butenoic acid,4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo, (Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(5-isopropyl-4H-1,2,4-triazol-3-yl)prop-2-en-1-one, 1-{5-[(4-Fluorophenyl)methyl]furan-2-yl}-3-hydroxy-3-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]prop-2-en-1-one
| Molecular Formula | C19H18FN3O3 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.1332 |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 280571-91-7 |
|---|---|
| SMILES | CC(C)C1=NC(=NN1)C(=CC(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)O |
| InChIKey | IKQPNUIHZCLAMS-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- (CAS 280571-91-7), with molecular formula C19H18FN3O3 and molecular weight 355.13 g/mol. IUPAC: 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propan-2-yl-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-(1-methylethyl)-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)-
The XLogP value of 4.4 indicates that 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 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-(1-methylethyl)-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- has 2 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 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- is 280571-91-7.
What is the molecular formula of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- is C19H18FN3O3.
What is the molecular weight of 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- is 355.13 g/mol.
Where can I buy 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(5-(1-methylethyl)-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-(1-methylethyl)-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-(1-methylethyl)-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-(1-methylethyl)-1H-1,2,4-triazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.