(alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile
TL;DR: (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile (CAS 16610-82-5) is a chemical compound with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-nitrophenyl)-3-phenylprop-2-enenitrile
Also Known As: 2-(4-Nitrophenyl)-3-phenylacrylonitrile, 2-(4-Nitrophenyl)-3-phenylpropenenitrile, 2-(4-nitrophenyl)-3-phenylprop-2-enenitrile, F 2391, (E)-2-(4-nitrophenyl)-3-phenylprop-2-enenitrile
| Molecular Formula | C15H10N2O2 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 3.65898 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.07423 |
| Heavy Atoms | 19 |
| Complexity | 652.795 |
Chemical Identifiers
| CAS Number | 16610-82-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C#N)\C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile (CAS 16610-82-5), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: (E)-2-(4-nitrophenyl)-3-phenylprop-2-enenitrile.
Chemical Property Profile of (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile
Property Insights of (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile
The XLogP value of 3.65898 indicates that (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile. Following Lipinski's Rule of Five, (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile has 0 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 (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
The CAS number of (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is 16610-82-5.
What is the molecular formula of (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
The molecular formula of (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is C15H10N2O2.
What is the molecular weight of (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
The molecular weight of (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is 250.07 g/mol.
Where can I buy (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
You can request a quote for (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (alphaE)-4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.