2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
TL;DR: 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)- (CAS 280571-66-6) is a chemical compound with molecular formula C16H11F2N3O3 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2,4-difluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-, (Z)-1-[5-[(2,4-difluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(4H-1,2,4-triazol-3-yl)prop-2-en-1-one, 1-[5-[(2,4-difluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one, 1-{5-[(2,4-DIFLUOROPHENYL)METHYL]FURAN-2-YL}-3-HYDROXY-3-(1H-1,2,4-TRIAZOL-3-YL)PROP-2-EN-1-ONE, 2-Propen-1-one, 1-[5-[(2,4-difluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
| Molecular Formula | C16H11F2N3O3 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.07684 |
| Heavy Atoms | 24 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 280571-66-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)CC2=CC=C(O2)C(=O)C=C(C3=NC=NN3)O |
| InChIKey | RDPALXZQCQMNPJ-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-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)- (CAS 280571-66-6), with molecular formula C16H11F2N3O3 and molecular weight 331.08 g/mol. IUPAC: 1-[5-[(2,4-difluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
Property Insights of 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
The XLogP value of 3.3 indicates that 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(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-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(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-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-?
The CAS number of 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)- is 280571-66-6.
What is the molecular formula of 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-?
The molecular formula of 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)- is C16H11F2N3O3.
What is the molecular weight of 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-?
The molecular weight of 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)- is 331.08 g/mol.
Where can I buy 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-?
You can request a quote for 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(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-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(5-((2,4-difluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.