5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
TL;DR: 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one (CAS 860611-41-2) is a chemical compound with molecular formula C14H11F2N3O2 and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one
Also Known As: 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one, 5-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 2',5'-Difluoro-5-hydroxy-6-(1H-1,2,4-triazol-1-yl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one, C14H11F2N3O2
| Molecular Formula | C14H11F2N3O2 |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 2.2959 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.08194 |
| Heavy Atoms | 21 |
| Complexity | 713.0141 |
Chemical Identifiers
| CAS Number | 860611-41-2 |
|---|---|
| SMILES | C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=C(C=CC(=C3)F)F |
Product Overview
5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one (CAS 860611-41-2), with molecular formula C14H11F2N3O2 and molecular weight 291.08 g/mol. IUPAC: 5-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
Property Insights of 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
The XLogP value of 2.2959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one. Following Lipinski's Rule of Five, 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one has 1 hydrogen bond donor(s) and 4 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 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The CAS number of 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is 860611-41-2.
What is the molecular formula of 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The molecular formula of 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is C14H11F2N3O2.
What is the molecular weight of 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
The molecular weight of 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one is 291.08 g/mol.
Where can I buy 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
You can request a quote for 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.