(E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
TL;DR: (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CAS 301202-59-5) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: AB00104900-01, (2E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile, (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 3.9674 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 710.0019 |
Chemical Identifiers
| CAS Number | 301202-59-5 |
|---|---|
| SMILES | CC1=CC=CC=C1/C=C(/C#N)\C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CAS 301202-59-5), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Property Insights of (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
The XLogP value of 3.9674 indicates that (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile 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 (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile 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 (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The CAS number of (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is 301202-59-5.
What is the molecular formula of (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is C16H12N2O2.
What is the molecular weight of (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is 264.09 g/mol.
Where can I buy (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-methylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.