![[4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate structure](/static/products/7309/730949-41-4.webp)
[4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
TL;DR: [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate (CAS 730949-41-4) is a chemical compound with molecular formula C26H21FN2O6 and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
Also Known As: [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate|4-{2-cyano-2-[(3,4-dimethoxyphenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-fluorobenzoate|EN300-26597740
| Molecular Formula | C26H21FN2O6 |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 4.61638 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.13837 |
| Heavy Atoms | 35 |
| Complexity | 1312.4076 |
Chemical Identifiers
| CAS Number | 730949-41-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)/C#N)OC |
Product Overview
[4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate (CAS 730949-41-4), with molecular formula C26H21FN2O6 and molecular weight 476.14 g/mol. IUPAC: [4-[(Z)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate.
Chemical Property Profile of [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
Property Insights of [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
The XLogP value of 4.61638 indicates that [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate. Following Lipinski's Rule of Five, [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate has 1 hydrogen bond donor(s) and 7 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-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
The CAS number of [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is 730949-41-4.
What is the molecular formula of [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
The molecular formula of [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is C26H21FN2O6.
What is the molecular weight of [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
The molecular weight of [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is 476.14 g/mol.
Where can I buy [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
You can request a quote for [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(Z)-2-Cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.