Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate
TL;DR: Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate (CAS 355822-76-3) 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 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate
Also Known As: BAS 02081504, ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate, 3-Benzo[1,3]dioxol-5-yl-2-cyano-4-phenyl-butyric acid ethyl ester, ethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-cyano-4-phenylbutanoate, ETHYL 3-(2H-1,3-BENZODIOXOL-5-YL)-2-CYANO-4-PHENYLBUTANOATE
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 3.44448 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 782.0283 |
Chemical Identifiers
| CAS Number | 355822-76-3 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 |
Product Overview
Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate (CAS 355822-76-3), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate.
Chemical Property Profile of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate
Property Insights of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate
The XLogP value of 3.44448 indicates that Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate 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-4-phenylbutanoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate 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-4-phenylbutanoate?
The CAS number of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate is 355822-76-3.
What is the molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate?
The molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate is C20H19NO4.
What is the molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate?
The molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate is 337.13 g/mol.
Where can I buy Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate?
You can request a quote for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate 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-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.