Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-
TL;DR: Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- (CAS 108946-36-7) is a chemical compound with molecular formula C16H11NO and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-hydroxy-3-phenylprop-2-ynyl)benzonitrile
Also Known As: Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-, 4-(1-Hydroxy-3-phenyl-2-propynyl)benzonitrile, 4-(1-hydroxy-3-phenylprop-2-ynyl)benzonitrile, 4-(1-Hydroxy-3-phenylpropargyl)benzonitrile, 1-(4-Cyanophenyl)-3-phenyl-2-propyne-1-ol
| Molecular Formula | C16H11NO |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.08406 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 108946-36-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC(C2=CC=C(C=C2)C#N)O |
| InChIKey | YCDARZSJNGZIOI-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- (CAS 108946-36-7), with molecular formula C16H11NO and molecular weight 233.08 g/mol. IUPAC: 4-(1-hydroxy-3-phenylprop-2-ynyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-
Property Insights of Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-. With a topological polar surface area (TPSA) of 44.0 Ų, Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- has 1 hydrogen bond donor(s) and 2 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 Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-?
The CAS number of Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- is 108946-36-7.
What is the molecular formula of Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-?
The molecular formula of Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- is C16H11NO.
What is the molecular weight of Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-?
The molecular weight of Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- is 233.08 g/mol.
Where can I buy Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-?
You can request a quote for Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.