1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-
TL;DR: 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- (CAS 94147-98-5) is a chemical compound with molecular formula C17H13ClFN3O2 and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-, 3-trifluoromethanesulfonyloxybenzoic acid methyl ester, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one, 1-(2-CHLOROPHENYL)-2-(4-FLUOROPHENYL)-2-HYDROXY-3-(1H-1,2,4-TRIAZOL-1-YL)-1-PROPANONE, 1-(2-Chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propan-1-one
| Molecular Formula | C17H13ClFN3O2 |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 2.8413 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.06802 |
| Heavy Atoms | 24 |
| Complexity | 852.5369 |
Chemical Identifiers
| CAS Number | 94147-98-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)Cl |
Product Overview
1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- (CAS 94147-98-5), with molecular formula C17H13ClFN3O2 and molecular weight 345.07 g/mol. IUPAC: 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one.
Chemical Property Profile of 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-
Property Insights of 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-
The XLogP value of 2.8413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-. Following Lipinski's Rule of Five, 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- 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 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-?
The CAS number of 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- is 94147-98-5.
What is the molecular formula of 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-?
The molecular formula of 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- is C17H13ClFN3O2.
What is the molecular weight of 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-?
The molecular weight of 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- is 345.07 g/mol.
Where can I buy 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-?
You can request a quote for 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(2-chlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.