Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate
TL;DR: Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate (CAS 199179-02-7) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
Also Known As: J1.141.417F, Ethyl3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate, Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate, ethyl 3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyanoacrylate, ethyl (E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 199179-02-7 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)/C#N |
| InChIKey | OLZDUDAXAKUUCC-GZTJUZNOSA-N |
Product Overview
Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate (CAS 199179-02-7), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: ethyl (E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate
Property Insights of Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate
The XLogP value of 3.7 indicates that Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate. Following Lipinski's Rule of Five, Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate 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 Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate?
The CAS number of Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate is 199179-02-7.
What is the molecular formula of Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate?
The molecular formula of Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate is C20H19NO4.
What is the molecular weight of Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate?
The molecular weight of Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate is 337.13 g/mol.
Where can I buy Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate?
You can request a quote for Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.