![[5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate structure](/static/products/5226/522657-26-7.webp)
[5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
TL;DR: [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522657-26-7) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Also Known As: [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate|[5-[2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]ethenyl]-2-methoxy-phenyl] 4-methoxybenzoate|5-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methoxybenzoate|EN300-26593552
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 5.08552 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 1267.1129 |
Chemical Identifiers
| CAS Number | 522657-26-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC)/C#N |
Product Overview
[5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522657-26-7), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Property Insights of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
The XLogP value of 5.08552 indicates that [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate. Following Lipinski's Rule of Five, [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The CAS number of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 522657-26-7.
What is the molecular formula of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular formula of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is C27H24N2O5.
What is the molecular weight of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular weight of [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 456.17 g/mol.
Where can I buy [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
You can request a quote for [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-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 [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-[(E)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.