(E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate
TL;DR: (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate (CAS 302574-98-7) is a chemical compound with molecular formula C26H16ClNO5 and molecular weight 457.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 2-oxochromene-3-carboxylate
Also Known As: (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate, [4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 2-oxochromene-3-carboxylate, 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate
| Molecular Formula | C26H16ClNO5 |
|---|---|
| Molecular Weight | 457.07 g/mol |
| LogP | 5.73838 |
| Topological Polar Surface Area | 89.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0717 |
| Heavy Atoms | 33 |
| Complexity | 1479.5771 |
Chemical Identifiers
| CAS Number | 302574-98-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)Cl)OC(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
(E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate (CAS 302574-98-7), with molecular formula C26H16ClNO5 and molecular weight 457.07 g/mol. IUPAC: [4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 2-oxochromene-3-carboxylate.
Chemical Property Profile of (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate
Property Insights of (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate
The XLogP value of 5.73838 indicates that (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate has 0 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 (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate?
The CAS number of (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate is 302574-98-7.
What is the molecular formula of (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate?
The molecular formula of (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate is C26H16ClNO5.
What is the molecular weight of (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate?
The molecular weight of (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate is 457.07 g/mol.
Where can I buy (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate?
You can request a quote for (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.