Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate
TL;DR: Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate (CAS 374541-82-9) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate
Also Known As: ChemDiv2_000469, BAS 02081471, ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate, ethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate, 3-Benzo[1,3]dioxol-5-yl-2-cyano-3-(2-methoxy-phenyl)-propionic acid ethyl ester
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.25868 |
| Topological Polar Surface Area | 77.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 842.33545 |
Chemical Identifiers
| CAS Number | 374541-82-9 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3OC |
Product Overview
Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate (CAS 374541-82-9), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate.
Chemical Property Profile of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate
Property Insights of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate
The XLogP value of 3.25868 indicates that Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate has 0 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate?
The CAS number of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate is 374541-82-9.
What is the molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate?
The molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate is C20H19NO5.
What is the molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate?
The molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate is 353.13 g/mol.
Where can I buy Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate?
You can request a quote for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.