Nitrobenzene, 4-(2-cyano-2-phenylethenyl)
TL;DR: Nitrobenzene, 4-(2-cyano-2-phenylethenyl) (CAS 7431-35-8) 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.
(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enenitrile
Also Known As: Nitrobenzene, 4-(2-cyano-2-phenylethenyl), (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enenitrile, alpha-Phenyl-4-nitro-cis-cinnamonitrile, 4-(2-Cyano-2-phenylethenyl)-1-nitrobenzene, 3-(4-nitrophenyl)-2-phenylprop-2-enenitrile
| 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 | 7431-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C#N |
| InChIKey | WWCOVEKFRJZIDP-GXDHUFHOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrobenzene, 4-(2-cyano-2-phenylethenyl) (CAS 7431-35-8), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of Nitrobenzene, 4-(2-cyano-2-phenylethenyl)
Property Insights of Nitrobenzene, 4-(2-cyano-2-phenylethenyl)
The XLogP value of 3.5 indicates that Nitrobenzene, 4-(2-cyano-2-phenylethenyl) 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 Nitrobenzene, 4-(2-cyano-2-phenylethenyl). Following Lipinski's Rule of Five, Nitrobenzene, 4-(2-cyano-2-phenylethenyl) 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 Nitrobenzene, 4-(2-cyano-2-phenylethenyl)?
The CAS number of Nitrobenzene, 4-(2-cyano-2-phenylethenyl) is 7431-35-8.
What is the molecular formula of Nitrobenzene, 4-(2-cyano-2-phenylethenyl)?
The molecular formula of Nitrobenzene, 4-(2-cyano-2-phenylethenyl) is C15H10N2O2.
What is the molecular weight of Nitrobenzene, 4-(2-cyano-2-phenylethenyl)?
The molecular weight of Nitrobenzene, 4-(2-cyano-2-phenylethenyl) is 250.07 g/mol.
Where can I buy Nitrobenzene, 4-(2-cyano-2-phenylethenyl)?
You can request a quote for Nitrobenzene, 4-(2-cyano-2-phenylethenyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrobenzene, 4-(2-cyano-2-phenylethenyl)?
Yes, KEHONG BIO provides custom synthesis services for Nitrobenzene, 4-(2-cyano-2-phenylethenyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.