![(Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile structure](/static/products/866/866009-17-8.png)
(Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile
TL;DR: (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile (CAS 866009-17-8) is a chemical compound with molecular formula C23H22ClN3O3S and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorobenzoyl)-3-methylsulfanylprop-2-enenitrile
Also Known As: (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorobenzoyl)-3-methylsulfanylprop-2-enenitrile
| Molecular Formula | C23H22ClN3O3S |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 4.16738 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.10703 |
| Heavy Atoms | 31 |
| Complexity | 1041.0225 |
Chemical Identifiers
| CAS Number | 866009-17-8 |
|---|---|
| SMILES | CSC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
(Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile (CAS 866009-17-8), with molecular formula C23H22ClN3O3S and molecular weight 455.11 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorobenzoyl)-3-methylsulfanylprop-2-enenitrile.
Chemical Property Profile of (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile
Property Insights of (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile
The XLogP value of 4.16738 indicates that (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile. Following Lipinski's Rule of Five, (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile has 0 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 (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile?
The CAS number of (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile is 866009-17-8.
What is the molecular formula of (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile?
The molecular formula of (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile is C23H22ClN3O3S.
What is the molecular weight of (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile?
The molecular weight of (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile is 455.11 g/mol.
Where can I buy (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile?
You can request a quote for (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.