4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile
TL;DR: 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile (CAS 3695-95-2) 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.
2-(4-nitrophenyl)-3-phenylprop-2-enenitrile
Also Known As: 2-(4-nitrophenyl)-3-phenylprop-2-enenitrile, F 2391, 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile, 4-Nitro-I+/--(phenylmethylene)benzeneacetonitrile
| Molecular Formula | C15H10N2O2 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.07423 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 3695-95-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LHERNHSFIPILFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile (CAS 3695-95-2), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: 2-(4-nitrophenyl)-3-phenylprop-2-enenitrile.
Chemical Property Profile of 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile
Property Insights of 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile
The XLogP value of 3.5 indicates that 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile. Following Lipinski's Rule of Five, 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 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
The CAS number of 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is 3695-95-2.
What is the molecular formula of 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
The molecular formula of 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is C15H10N2O2.
What is the molecular weight of 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
The molecular weight of 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile is 250.07 g/mol.
Where can I buy 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
You can request a quote for 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 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-alpha-(phenylmethylene)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.