2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester
TL;DR: 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester (CAS 333341-38-1) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[4-(2-anilino-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoate
Also Known As: BAS 00758935, 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester, Ethyl 2-cyano-3-(4-(2-oxo-2-(phenylamino)ethoxy)phenyl)acrylate, Ethyl2-cyano-3-(4-(2-oxo-2-(phenylamino)ethoxy)phenyl)acrylate, ethyl (2E)-2-cyano-3-{4-[(N-phenylcarbamoyl)methoxy]phenyl}prop-2-enoate
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 3.17418 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 821.1397 |
Chemical Identifiers
| CAS Number | 333341-38-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2)/C#N |
Product Overview
2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester (CAS 333341-38-1), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: ethyl (E)-3-[4-(2-anilino-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester
Property Insights of 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester
The XLogP value of 3.17418 indicates that 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester 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 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester. Following Lipinski's Rule of Five, 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester 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 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester?
The CAS number of 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester is 333341-38-1.
What is the molecular formula of 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester?
The molecular formula of 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester is C20H18N2O4.
What is the molecular weight of 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester?
The molecular weight of 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester is 350.13 g/mol.
Where can I buy 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester?
You can request a quote for 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(4-phenylcarbamoylmethoxy-phenyl)-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.