![[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate structure](/static/products/3804/380477-83-8.webp)
[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
TL;DR: [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate (CAS 380477-83-8) is a chemical compound with molecular formula C24H17FN2O4 and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
Also Known As: A3066/0129564, [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate, 4-{(1E)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate, 4-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-methoxybenzoate
| Molecular Formula | C24H17FN2O4 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 4.59918 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.11725 |
| Heavy Atoms | 31 |
| Complexity | 1163.4337 |
Chemical Identifiers
| CAS Number | 380477-83-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3F |
Product Overview
[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate (CAS 380477-83-8), with molecular formula C24H17FN2O4 and molecular weight 416.12 g/mol. IUPAC: [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate.
Chemical Property Profile of [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
Property Insights of [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
The XLogP value of 4.59918 indicates that [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate has 1 hydrogen bond donor(s) and 5 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 [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate?
The CAS number of [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate is 380477-83-8.
What is the molecular formula of [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate?
The molecular formula of [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate is C24H17FN2O4.
What is the molecular weight of [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate?
The molecular weight of [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate is 416.12 g/mol.
Where can I buy [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate?
You can request a quote for [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 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-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.