4-Phenethyloxybenzonitrile
TL;DR: 4-Phenethyloxybenzonitrile (CAS 57928-64-0) is a chemical compound with molecular formula C15H13NO and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethoxy)benzonitrile
Also Known As: 4-(2-phenylethoxy)benzonitrile, 4-phenethyloxybenzonitrile, J3.595.623I
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 3.17978 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 496.69507 |
Chemical Identifiers
| CAS Number | 57928-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C#N |
Product Overview
4-Phenethyloxybenzonitrile (CAS 57928-64-0), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 4-(2-phenylethoxy)benzonitrile.
Chemical Property Profile of 4-Phenethyloxybenzonitrile
Property Insights of 4-Phenethyloxybenzonitrile
The XLogP value of 3.17978 indicates that 4-Phenethyloxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-Phenethyloxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenethyloxybenzonitrile has 0 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 4-Phenethyloxybenzonitrile?
The CAS number of 4-Phenethyloxybenzonitrile is 57928-64-0.
What is the molecular formula of 4-Phenethyloxybenzonitrile?
The molecular formula of 4-Phenethyloxybenzonitrile is C15H13NO.
What is the molecular weight of 4-Phenethyloxybenzonitrile?
The molecular weight of 4-Phenethyloxybenzonitrile is 223.10 g/mol.
Where can I buy 4-Phenethyloxybenzonitrile?
You can request a quote for 4-Phenethyloxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenethyloxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenethyloxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.