Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate
TL;DR: Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate (CAS 443905-19-9) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 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-phenylpropanoate
Also Known As: BAS 04056352, ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate, ethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-cyano-3-phenylpropanoate, 3-Benzo[1,3]dioxol-5-yl-2-cyano-3-phenyl-propionic acid ethyl ester, ETHYL 3-(2H-1,3-BENZODIOXOL-5-YL)-2-CYANO-3-PHENYLPROPANOATE
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.25008 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 766.6814 |
Chemical Identifiers
| CAS Number | 443905-19-9 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 |
Product Overview
Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate (CAS 443905-19-9), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate.
Chemical Property Profile of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate
Property Insights of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate
The XLogP value of 3.25008 indicates that Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate 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-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate?
The CAS number of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate is 443905-19-9.
What is the molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate?
The molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate is C19H17NO4.
What is the molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate?
The molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate is 323.12 g/mol.
Where can I buy Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate?
You can request a quote for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate 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-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.