![[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone structure](/static/products/5886/588685-28-3.webp)
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
TL;DR: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone (CAS 588685-28-3) is a chemical compound with molecular formula C27H24ClN3O3S and molecular weight 505.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
Also Known As: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone, 4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl 6-chloro-2-(5-methyl(2-t hienyl))(4-quinolyl) ketone, 4-[4-(2H-1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINE-1-CARBONYL]-6-CHLORO-2-(5-METHYLTHIOPHEN-2-YL)QUINOLINE
| Molecular Formula | C27H24ClN3O3S |
|---|---|
| Molecular Weight | 505.12 g/mol |
| LogP | 5.61182 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.12268 |
| Heavy Atoms | 35 |
| Complexity | 1428.7164 |
Chemical Identifiers
| CAS Number | 588685-28-3 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone (CAS 588685-28-3), with molecular formula C27H24ClN3O3S and molecular weight 505.12 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone.
Chemical Property Profile of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
Property Insights of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
The XLogP value of 5.61182 indicates that [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.9 Ų, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The CAS number of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is 588685-28-3.
What is the molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is C27H24ClN3O3S.
What is the molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is 505.12 g/mol.
Where can I buy [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
You can request a quote for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.