![[2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone structure](/static/products/823/823832-22-0.png)
[2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
TL;DR: [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CAS 823832-22-0) is a chemical compound with molecular formula C26H23N5O3 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Also Known As: [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone|(2-benzo[1,3]dioxol-5-yl-6-methyl-quinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone|[2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl][4-(pyrimidin-2-yl)piperazin-1-yl]methanone|2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-6-methyl(4-quinolyl) 4-pyrimidin-2-ylpipe razinyl ketone
| Molecular Formula | C26H23N5O3 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 3.69132 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.18008 |
| Heavy Atoms | 34 |
| Complexity | 1384.3478 |
Chemical Identifiers
| CAS Number | 823832-22-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC6=C(C=C5)OCO6 |
Product Overview
[2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CAS 823832-22-0), with molecular formula C26H23N5O3 and molecular weight 453.18 g/mol. IUPAC: [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
Chemical Property Profile of [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Property Insights of [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
The XLogP value of 3.69132 indicates that [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone 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 [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The CAS number of [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is 823832-22-0.
What is the molecular formula of [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The molecular formula of [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is C26H23N5O3.
What is the molecular weight of [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The molecular weight of [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is 453.18 g/mol.
Where can I buy [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
You can request a quote for [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.