Benzeneacetonitrile, alpha-(phenylmethylene)-
TL;DR: Benzeneacetonitrile, alpha-(phenylmethylene)- (CAS 16610-80-3) is a chemical compound with molecular formula C15H11N and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,3-diphenylprop-2-enenitrile
Also Known As: 2,3-Diphenylacrylonitrile, alpha-Phenylcinnamonitrile, (E)-2,3-Diphenylacrylonitrile, alpha-Cyanostilbene, Stilbene, alpha-cyano-
| Molecular Formula | C15H11N |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 3.75078 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08914 |
| Heavy Atoms | 16 |
| Complexity | 518.36633 |
Chemical Identifiers
| CAS Number | 16610-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C#N)\C2=CC=CC=C2 |
Product Overview
Benzeneacetonitrile, alpha-(phenylmethylene)- (CAS 16610-80-3), with molecular formula C15H11N and molecular weight 205.09 g/mol. IUPAC: (E)-2,3-diphenylprop-2-enenitrile.
Chemical Property Profile of Benzeneacetonitrile, alpha-(phenylmethylene)-
Property Insights of Benzeneacetonitrile, alpha-(phenylmethylene)-
The XLogP value of 3.75078 indicates that Benzeneacetonitrile, alpha-(phenylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Benzeneacetonitrile, alpha-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-(phenylmethylene)- has 0 hydrogen bond donor(s) and 1 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-(phenylmethylene)-?
The CAS number of Benzeneacetonitrile, alpha-(phenylmethylene)- is 16610-80-3.
What is the molecular formula of Benzeneacetonitrile, alpha-(phenylmethylene)-?
The molecular formula of Benzeneacetonitrile, alpha-(phenylmethylene)- is C15H11N.
What is the molecular weight of Benzeneacetonitrile, alpha-(phenylmethylene)-?
The molecular weight of Benzeneacetonitrile, alpha-(phenylmethylene)- is 205.09 g/mol.
Where can I buy Benzeneacetonitrile, alpha-(phenylmethylene)-?
You can request a quote for Benzeneacetonitrile, alpha-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, alpha-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, alpha-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.