![Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate structure](/static/products/116/1164464-45-2.png)
Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate
TL;DR: Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate (CAS 1164464-45-2) is a chemical compound with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]benzoate
Also Known As: methyl 4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]benzoate, methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate
| Molecular Formula | C20H18N2O3 |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 3.25758 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.13174 |
| Heavy Atoms | 25 |
| Complexity | 818.26984 |
Chemical Identifiers
| CAS Number | 1164464-45-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C#N |
Product Overview
Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate (CAS 1164464-45-2), with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol. IUPAC: methyl 4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]benzoate.
Chemical Property Profile of Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate
Property Insights of Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate
The XLogP value of 3.25758 indicates that Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate has 1 hydrogen bond donor(s) and 4 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-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate?
The CAS number of Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate is 1164464-45-2.
What is the molecular formula of Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate?
The molecular formula of Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate is C20H18N2O3.
What is the molecular weight of Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate?
The molecular weight of Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate is 334.13 g/mol.
Where can I buy Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate?
You can request a quote for Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}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-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{2-cyano-2-[(1-phenylethyl)carbamoyl]eth-1-en-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.