(1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate
TL;DR: (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate (CAS 19971-69-8) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate
Also Known As: (1-cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate, 1-Cyano-2-ethoxy-2-oxo-1-phenylethyl benzoate, ethyl 2-(benzoyloxy)-2-cyano-2-phenylacetate, alpha-(Benzoyloxy)-alpha-cyanobenzeneacetic acid ethyl ester, 1-Cyano-2-ethoxy-2-oxo-1-phenylethyl benzoate #
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 19971-69-8 |
|---|---|
| SMILES | CCOC(=O)C(C#N)(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | IWFSTRVHDQQGFY-UHFFFAOYSA-N |
Product Overview
(1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate (CAS 19971-69-8), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: (1-cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate.
Chemical Property Profile of (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate
Property Insights of (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate
The XLogP value of 3.5 indicates that (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate. Following Lipinski's Rule of Five, (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate has 0 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 (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate?
The CAS number of (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate is 19971-69-8.
What is the molecular formula of (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate?
The molecular formula of (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate is C18H15NO4.
What is the molecular weight of (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate?
The molecular weight of (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate is 309.10 g/mol.
Where can I buy (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate?
You can request a quote for (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.