2-Benzyloxyphenylacetonitrile
TL;DR: 2-Benzyloxyphenylacetonitrile (CAS 27139-97-5) 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.
2-(2-phenylmethoxyphenyl)acetonitrile
Also Known As: 2-Benzyloxyphenylacetonitrile, 2-Benzyloxyacetonitrile, 2-(2-(Benzyloxy)phenyl)acetonitrile, 2-benzyloxybenzyl cyanide, [2-(benzyloxy)phenyl]acetonitrile
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 27139-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2CC#N |
| InChIKey | WAQPXLOPRNLIGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyloxyphenylacetonitrile (CAS 27139-97-5), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 2-(2-phenylmethoxyphenyl)acetonitrile.
Chemical Property Profile of 2-Benzyloxyphenylacetonitrile
Property Insights of 2-Benzyloxyphenylacetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyloxyphenylacetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Benzyloxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyloxyphenylacetonitrile 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-Benzyloxyphenylacetonitrile?
The CAS number of 2-Benzyloxyphenylacetonitrile is 27139-97-5.
What is the molecular formula of 2-Benzyloxyphenylacetonitrile?
The molecular formula of 2-Benzyloxyphenylacetonitrile is C15H13NO.
What is the molecular weight of 2-Benzyloxyphenylacetonitrile?
The molecular weight of 2-Benzyloxyphenylacetonitrile is 223.10 g/mol.
Where can I buy 2-Benzyloxyphenylacetonitrile?
You can request a quote for 2-Benzyloxyphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyloxyphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyloxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.