4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile
TL;DR: 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile (CAS 160146-17-8) is a chemical compound with molecular formula C18H15FN4O and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
Also Known As: Finrozole, finrozol, Finrozole [INN], MPV-2213ad, MPV 2213ad
| Molecular Formula | C18H15FN4O |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.123 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 160146-17-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(C2=CC=C(C=C2)C#N)N3C=NC=N3)O)F |
| InChIKey | SLJZVZKQYSKYNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile (CAS 160146-17-8), with molecular formula C18H15FN4O and molecular weight 322.12 g/mol. IUPAC: 4-[3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile.
Chemical Property Profile of 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile
Property Insights of 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile. Following Lipinski's Rule of Five, 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile has 1 hydrogen bond donor(s) and 5 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 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile?
The CAS number of 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile is 160146-17-8.
What is the molecular formula of 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile?
The molecular formula of 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile is C18H15FN4O.
What is the molecular weight of 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile?
The molecular weight of 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile is 322.12 g/mol.
Where can I buy 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile?
You can request a quote for 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.