![2-[Cyano-(4-nitrophenyl)methyl]benzonitrile structure](/static/products/3130/31309-64-5.webp)
2-[Cyano-(4-nitrophenyl)methyl]benzonitrile
TL;DR: 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile (CAS 31309-64-5) is a chemical compound with molecular formula C15H9N3O2 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyano-(4-nitrophenyl)methyl]benzonitrile
Also Known As: 2-[cyano-(4-nitrophenyl)methyl]benzonitrile, 2-[CYANO(4-NITROPHENYL)METHYL]BENZONITRILE, BENZENEACETONITRILE,2-CYANO-A-(4-NITROPHENYL)-
| Molecular Formula | C15H9N3O2 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0695 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 31309-64-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C(C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VNCPQGUQCTZPRV-UHFFFAOYSA-N |
Product Overview
2-[Cyano-(4-nitrophenyl)methyl]benzonitrile (CAS 31309-64-5), with molecular formula C15H9N3O2 and molecular weight 263.07 g/mol. IUPAC: 2-[cyano-(4-nitrophenyl)methyl]benzonitrile.
Chemical Property Profile of 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile
Property Insights of 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile. Following Lipinski's Rule of Five, 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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-[Cyano-(4-nitrophenyl)methyl]benzonitrile?
The CAS number of 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile is 31309-64-5.
What is the molecular formula of 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile?
The molecular formula of 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile is C15H9N3O2.
What is the molecular weight of 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile?
The molecular weight of 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile is 263.07 g/mol.
Where can I buy 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile?
You can request a quote for 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Cyano-(4-nitrophenyl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.