2-Phenoxyphenylacetonitrile
TL;DR: 2-Phenoxyphenylacetonitrile (CAS 25562-98-5) is a chemical compound with molecular formula C14H11NO and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenoxyphenyl)acetonitrile
Also Known As: 2-Phenoxyphenylacetonitrile, 2-(2-phenoxyphenyl)acetonitrile, Pelargonidinchloride, 2-Phenoxybenzyl cyanide, phenoxybenzeneacetonitrile
| Molecular Formula | C14H11NO |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08406 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 25562-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2CC#N |
| InChIKey | PCMQCXFXODBYGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenoxyphenylacetonitrile (CAS 25562-98-5), with molecular formula C14H11NO and molecular weight 209.08 g/mol. IUPAC: 2-(2-phenoxyphenyl)acetonitrile.
Chemical Property Profile of 2-Phenoxyphenylacetonitrile
Property Insights of 2-Phenoxyphenylacetonitrile
The XLogP value of 3.1 indicates that 2-Phenoxyphenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Phenoxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenoxyphenylacetonitrile 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 2-Phenoxyphenylacetonitrile?
The CAS number of 2-Phenoxyphenylacetonitrile is 25562-98-5.
What is the molecular formula of 2-Phenoxyphenylacetonitrile?
The molecular formula of 2-Phenoxyphenylacetonitrile is C14H11NO.
What is the molecular weight of 2-Phenoxyphenylacetonitrile?
The molecular weight of 2-Phenoxyphenylacetonitrile is 209.08 g/mol.
Where can I buy 2-Phenoxyphenylacetonitrile?
You can request a quote for 2-Phenoxyphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenoxyphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenoxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.