4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile
TL;DR: 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile (CAS 6582-07-6) 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.
(Z)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: CDS1_000756, beta-Cyano-4-methoxy-4 -nitrostilbene, 3-(4-methoxyphenyl)-2-(4-nitrophenyl)acrylonitrile, (Z)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile, J1.361.056H
| 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 | 430.0 |
Chemical Identifiers
| CAS Number | 6582-07-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FJBBWHCHJAMHGD-GXDHUFHOSA-N |
Product Overview
4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile (CAS 6582-07-6), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: (Z)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile
Property Insights of 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile
The XLogP value of 3.5 indicates that 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile 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 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile. Following Lipinski's Rule of Five, 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile 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 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile?
The CAS number of 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile is 6582-07-6.
What is the molecular formula of 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile?
The molecular formula of 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile is C16H12N2O3.
What is the molecular weight of 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile?
The molecular weight of 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile is 280.08 g/mol.
Where can I buy 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile?
You can request a quote for 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-alpha-(4-nitrophenyl)cinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.