Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile
TL;DR: Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile (CAS 6281-64-7) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: 2-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enenitrile, ALPHA-(4-METHOXYPHENYL)-3-NITROCINNAMONITRILE, (Z)-2-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enenitrile, 4-Methoxy-I+/--[(3-nitrophenyl)methylene]benzeneacetonitrile, 3-(3-(Hydroxy(oxido)amino)phenyl)-2-(4-methoxyphenyl)acrylonitrile
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 6281-64-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N |
| InChIKey | HHUPEXFDDAOPGQ-UHFFFAOYSA-N |
Product Overview
Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile (CAS 6281-64-7), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 2-(4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile
Property Insights of Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile
The XLogP value of 3.5 indicates that Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile. Following Lipinski's Rule of Five, Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile 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 Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile?
The CAS number of Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile is 6281-64-7.
What is the molecular formula of Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile?
The molecular formula of Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile is C16H12N2O3.
What is the molecular weight of Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile?
The molecular weight of Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile is 280.08 g/mol.
Where can I buy Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile?
You can request a quote for Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for Alpha-(4-methoxyphenyl)-3-nitrocinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.