![[4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate structure](/static/products/5226/522657-76-7.webp)
[4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
TL;DR: [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522657-76-7) is a chemical compound with molecular formula C25H19N3O8 and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Also Known As: [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate|[4-[2-cyano-2-[(2-hydroxy-4-nitro-phenyl)carbamoyl]ethenyl]-2-methoxy-phenyl] 4-methoxybenzoate|4-{2-cyano-2-[(2-hydroxy-4-nitrophenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methoxybenzoate
| Molecular Formula | C25H19N3O8 |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 4.08248 |
| Topological Polar Surface Area | 161.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.11722 |
| Heavy Atoms | 36 |
| Complexity | 1391.4036 |
Chemical Identifiers
| CAS Number | 522657-76-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)OC |
Product Overview
[4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522657-76-7), with molecular formula C25H19N3O8 and molecular weight 489.12 g/mol. IUPAC: [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Property Insights of [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
The XLogP value of 4.08248 indicates that [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.02 Ų indicates high polarity, suggesting [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate has 2 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 [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The CAS number of [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 522657-76-7.
What is the molecular formula of [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular formula of [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is C25H19N3O8.
What is the molecular weight of [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular weight of [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 489.12 g/mol.
Where can I buy [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
You can request a quote for [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.