![(E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide structure](/static/products/898/898918-49-5.png)
(E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
TL;DR: (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide (CAS 898918-49-5) is a chemical compound with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
Also Known As: (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide, (Z)-3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-cyano-N-(4-methoxyphenyl)acrylamide, (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
| Molecular Formula | C23H24N4O4 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 2.58768 |
| Topological Polar Surface Area | 87.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.17975 |
| Heavy Atoms | 31 |
| Complexity | 1005.2268 |
Chemical Identifiers
| CAS Number | 898918-49-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)/C(=C\N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)/C#N |
Product Overview
(E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide (CAS 898918-49-5), with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol. IUPAC: (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
Property Insights of (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
The XLogP value of 2.58768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide. The TPSA of 87.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 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[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide?
The CAS number of (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide is 898918-49-5.
What is the molecular formula of (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide?
The molecular formula of (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide is C23H24N4O4.
What is the molecular weight of (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide?
The molecular weight of (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide is 420.18 g/mol.
Where can I buy (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide?
You can request a quote for (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide 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[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.