2-(4-Nitrophenyl)-2-phenylacetonitrile
TL;DR: 2-(4-Nitrophenyl)-2-phenylacetonitrile (CAS 7599-05-5) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-2-phenylacetonitrile
Also Known As: 2-(4-nitrophenyl)-2-phenylacetonitrile, 4-nitrophenylphenylcyano-methane, (4-Nitrophenyl)phenylacetonitrile, Phenyl(4-nitrophenyl)acetonitrile, (4-Nitrophenyl)(phenyl)acetonitrile
| Molecular Formula | C14H10N2O2 |
|---|---|
| Molecular Weight | 238.07 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 | 238.07423 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 7599-05-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DZRUHJSVLPGCMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenyl)-2-phenylacetonitrile (CAS 7599-05-5), with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol. IUPAC: 2-(4-nitrophenyl)-2-phenylacetonitrile.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-phenylacetonitrile
Property Insights of 2-(4-Nitrophenyl)-2-phenylacetonitrile
The XLogP value of 3.5 indicates that 2-(4-Nitrophenyl)-2-phenylacetonitrile 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 2-(4-Nitrophenyl)-2-phenylacetonitrile. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-phenylacetonitrile 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 2-(4-Nitrophenyl)-2-phenylacetonitrile?
The CAS number of 2-(4-Nitrophenyl)-2-phenylacetonitrile is 7599-05-5.
What is the molecular formula of 2-(4-Nitrophenyl)-2-phenylacetonitrile?
The molecular formula of 2-(4-Nitrophenyl)-2-phenylacetonitrile is C14H10N2O2.
What is the molecular weight of 2-(4-Nitrophenyl)-2-phenylacetonitrile?
The molecular weight of 2-(4-Nitrophenyl)-2-phenylacetonitrile is 238.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-phenylacetonitrile?
You can request a quote for 2-(4-Nitrophenyl)-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.