![[4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate structure](/static/products/380/380477-85-0.png)
[4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate
TL;DR: [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate (CAS 380477-85-0) is a chemical compound with molecular formula C27H23N3O8 and molecular weight 517.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate
Also Known As: [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate|4-{(1E)-2-cyano-3-[(2-methoxy-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl 4-methoxybenzoate|[4-[2-cyano-2-[(2-methoxy-4-nitro-phenyl)carbamoyl]ethenyl]-2-ethoxy-phenyl] 4-methoxybenzoate|4-[(E)-2-CYANO-3-(2-METHOXY-4-NITROANILINO)-3-OXO-1-PROPENYL]-2-ETHOXYPHENYL 4-METHOXYBENZOATE|4-{2-cyano-2-[(2-methoxy-4-nitrophenyl)carbamoyl]eth-1-en-1-yl}-2-ethoxyphenyl 4-methoxybenzoate|EN300-26605899
| Molecular Formula | C27H23N3O8 |
|---|---|
| Molecular Weight | 517.15 g/mol |
| LogP | 4.77558 |
| Topological Polar Surface Area | 150.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.1485 |
| Heavy Atoms | 38 |
| Complexity | 1425.2255 |
Chemical Identifiers
| CAS Number | 380477-85-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)OC(=O)C3=CC=C(C=C3)OC |
Product Overview
[4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate (CAS 380477-85-0), with molecular formula C27H23N3O8 and molecular weight 517.15 g/mol. IUPAC: [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate
Property Insights of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate
The XLogP value of 4.77558 indicates that [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.02 Ų indicates high polarity, suggesting [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate?
The CAS number of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate is 380477-85-0.
What is the molecular formula of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate?
The molecular formula of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate is C27H23N3O8.
What is the molecular weight of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate?
The molecular weight of [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate is 517.15 g/mol.
Where can I buy [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate?
You can request a quote for [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 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-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.