3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
TL;DR: 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CAS 4769-17-9) is a chemical compound with molecular formula C16H11N3O5 and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: Maybridge1_005494, DivK1c_001782, CDS1_000742, 3-(4-methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile, (Z)-3-(4-methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enen
| Molecular Formula | C16H11N3O5 |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0699 |
| Heavy Atoms | 24 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 4769-17-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HQUZEVHAMSZKCG-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CAS 4769-17-9), with molecular formula C16H11N3O5 and molecular weight 325.07 g/mol. IUPAC: 3-(4-methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Property Insights of 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
The XLogP value of 3.3 indicates that 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 6 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 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The CAS number of 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile is 4769-17-9.
What is the molecular formula of 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular formula of 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile is C16H11N3O5.
What is the molecular weight of 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular weight of 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile is 325.07 g/mol.
Where can I buy 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
You can request a quote for 3-(4-Methoxy-3-nitrophenyl)-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 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxy-3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.