![[4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate structure](/static/products/7309/730944-87-3.webp)
[4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
TL;DR: [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate (CAS 730944-87-3) is a chemical compound with molecular formula C28H20N2O5S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
Also Known As: [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate|4-{2-cyano-2-[(2-phenoxyphenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl thiophene-2-carboxylate|EN300-26610311
| Molecular Formula | C28H20N2O5S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 6.31388 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.10928 |
| Heavy Atoms | 36 |
| Complexity | 1440.5588 |
Chemical Identifiers
| CAS Number | 730944-87-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2OC3=CC=CC=C3)OC(=O)C4=CC=CS4 |
Product Overview
[4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate (CAS 730944-87-3), with molecular formula C28H20N2O5S and molecular weight 496.11 g/mol. IUPAC: [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate.
Chemical Property Profile of [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
Property Insights of [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
The XLogP value of 6.31388 indicates that [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate 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 [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate?
The CAS number of [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate is 730944-87-3.
What is the molecular formula of [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate?
The molecular formula of [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate is C28H20N2O5S.
What is the molecular weight of [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate?
The molecular weight of [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate is 496.11 g/mol.
Where can I buy [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate?
You can request a quote for [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate 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-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.