![(E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide structure](/static/products/903/903198-40-3.png)
(E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide
TL;DR: (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide (CAS 903198-40-3) is a chemical compound with molecular formula C24H26N4O3 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
Also Known As: (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide, (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-phenethylprop-2-enamide, (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-phenethyl-prop-2-enamide, (2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
| Molecular Formula | C24H26N4O3 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.29928 |
| Topological Polar Surface Area | 77.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.2005 |
| Heavy Atoms | 31 |
| Complexity | 976.0641 |
Chemical Identifiers
| CAS Number | 903198-40-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4 |
Product Overview
(E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide (CAS 903198-40-3), with molecular formula C24H26N4O3 and molecular weight 418.20 g/mol. IUPAC: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide
Property Insights of (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide
The XLogP value of 2.29928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide. The TPSA of 77.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide. Following Lipinski's Rule of Five, (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide has 1 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 (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide?
The CAS number of (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide is 903198-40-3.
What is the molecular formula of (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide?
The molecular formula of (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide is C24H26N4O3.
What is the molecular weight of (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide?
The molecular weight of (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide is 418.20 g/mol.
Where can I buy (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide?
You can request a quote for (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-phenethylacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.