![methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate structure](/static/products/5685/568529-75-9.webp)
methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
TL;DR: methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate (CAS 568529-75-9) is a chemical compound with molecular formula C28H26N2O4 and molecular weight 454.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(Z)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]phenoxy]methyl]benzoate
Also Known As: methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate, Methyl 4-[[2-[(Z)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]phenoxy]methyl]benzoate
| Molecular Formula | C28H26N2O4 |
|---|---|
| Molecular Weight | 454.19 g/mol |
| LogP | 5.52314 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.18927 |
| Heavy Atoms | 34 |
| Complexity | 1261.4985 |
Chemical Identifiers
| CAS Number | 568529-75-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)/C(=C\C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)/C#N)C |
Product Overview
methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate (CAS 568529-75-9), with molecular formula C28H26N2O4 and molecular weight 454.19 g/mol. IUPAC: methyl 4-[[2-[(Z)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]phenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
Property Insights of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
The XLogP value of 5.52314 indicates that methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)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-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The CAS number of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is 568529-75-9.
What is the molecular formula of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The molecular formula of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is C28H26N2O4.
What is the molecular weight of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The molecular weight of methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is 454.19 g/mol.
Where can I buy methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
You can request a quote for methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)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-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(2-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.