Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-
TL;DR: Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- (CAS 71962-66-8) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
Also Known As: (R)-3-Phenoxy-mandelonitrile, 3-Phenoxybenzaldehyde cyanohydrin, (2R)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile, (R)alpha-cyano-3-phenoxybenzyl alcohol, (R)-alpha-cyano-3-phenoxybenzyl alcohol
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 71962-66-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)[C@H](C#N)O |
| InChIKey | GXUQMKBQDGPMKZ-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- (CAS 71962-66-8), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: (2R)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile.
Chemical Property Profile of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-
Property Insights of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-. With a topological polar surface area (TPSA) of 53.3 Ų, Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- has 1 hydrogen bond donor(s) and 3 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 Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-?
The CAS number of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- is 71962-66-8.
What is the molecular formula of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-?
The molecular formula of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- is C14H11NO2.
What is the molecular weight of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-?
The molecular weight of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- is 225.08 g/mol.
Where can I buy Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-?
You can request a quote for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaR)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.