![ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate structure](/static/products/3337/333766-63-5.webp)
ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate
TL;DR: ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate (CAS 333766-63-5) is a chemical compound with molecular formula C23H23BrN2O5 and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate
Also Known As: Ethyl3-(4-(2-((2-bromo-4-methylphenyl)amino)-2-oxoethoxy)-3-ethoxyphenyl)-2-cyanoacrylate, Ethyl 3-(4-(2-((2-bromo-4-methylphenyl)amino)-2-oxoethoxy)-3-ethoxyphenyl)-2-cyanoacrylate
| Molecular Formula | C23H23BrN2O5 |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 4.6438 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.07904 |
| Heavy Atoms | 31 |
| Complexity | 1027.1123 |
Chemical Identifiers
| CAS Number | 333766-63-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OCC(=O)NC2=C(C=C(C=C2)C)Br |
Product Overview
ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate (CAS 333766-63-5), with molecular formula C23H23BrN2O5 and molecular weight 486.08 g/mol. IUPAC: ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate
Property Insights of ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate
The XLogP value of 4.6438 indicates that ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate 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 ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate has 1 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 ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate?
The CAS number of ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate is 333766-63-5.
What is the molecular formula of ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate?
The molecular formula of ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate is C23H23BrN2O5.
What is the molecular weight of ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate?
The molecular weight of ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate is 486.08 g/mol.
Where can I buy ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate?
You can request a quote for ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-3-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.