![Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate structure](/static/products/3804/380477-76-9.webp)
Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate
TL;DR: Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate (CAS 380477-76-9) is a chemical compound with molecular formula C24H16N4O8 and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(Z)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoate
Also Known As: methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate, Methyl 2-[[(Z)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoate
| Molecular Formula | C24H16N4O8 |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 4.62758 |
| Topological Polar Surface Area | 174.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.0968 |
| Heavy Atoms | 36 |
| Complexity | 1424.7742 |
Chemical Identifiers
| CAS Number | 380477-76-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C(=C\C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C#N |
Product Overview
Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate (CAS 380477-76-9), with molecular formula C24H16N4O8 and molecular weight 488.10 g/mol. IUPAC: methyl 2-[[(Z)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate
Property Insights of Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate
The XLogP value of 4.62758 indicates that Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.7 Ų indicates high polarity, suggesting Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate has 1 hydrogen bond donor(s) and 9 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 Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate?
The CAS number of Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate is 380477-76-9.
What is the molecular formula of Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate?
The molecular formula of Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate is C24H16N4O8.
What is the molecular weight of Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate?
The molecular weight of Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate is 488.10 g/mol.
Where can I buy Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate?
You can request a quote for Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enamido}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.