![methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate structure](/static/products/5644/564458-32-8.webp)
methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
TL;DR: methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate (CAS 564458-32-8) is a chemical compound with molecular formula C25H19FN2O4 and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
Also Known As: methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate, Methyl 4-[[2-[(E)-2-cyano-2-[(2-fluorophenyl)carbamoyl]ethenyl]phenoxy]methyl]benzoate, methyl 4-[[2-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
| Molecular Formula | C25H19FN2O4 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 4.73698 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.13287 |
| Heavy Atoms | 32 |
| Complexity | 1197.0638 |
Chemical Identifiers
| CAS Number | 564458-32-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3=CC=CC=C3F |
Product Overview
methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate (CAS 564458-32-8), with molecular formula C25H19FN2O4 and molecular weight 430.13 g/mol. IUPAC: methyl 4-[[2-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
Property Insights of methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
The XLogP value of 4.73698 indicates that methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate 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 methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate 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 methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The CAS number of methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is 564458-32-8.
What is the molecular formula of methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The molecular formula of methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is C25H19FN2O4.
What is the molecular weight of methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The molecular weight of methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is 430.13 g/mol.
Where can I buy methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
You can request a quote for methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(2-{2-cyano-2-[(2-fluorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.