![(E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile structure](/static/products/866/866019-86-5.png)
(E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile
TL;DR: (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile (CAS 866019-86-5) is a chemical compound with molecular formula C29H28N4O2S and molecular weight 496.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile
Also Known As: (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile, 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile, 4-[2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-I+/--[[1,2,3,4-tetrahydro-1-(2-methylpropyl)-6-quinolinyl]methylene]-2-thiazoleacetonitrile
| Molecular Formula | C29H28N4O2S |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 5.45458 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.1933 |
| Heavy Atoms | 36 |
| Complexity | 1363.2509 |
Chemical Identifiers
| CAS Number | 866019-86-5 |
|---|---|
| SMILES | CC(C)CN1CCCC2=C1C=CC(=C2)C=C(C#N)C3=NC(=CS3)CCN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
(E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile (CAS 866019-86-5), with molecular formula C29H28N4O2S and molecular weight 496.19 g/mol. IUPAC: 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile
Property Insights of (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile
The XLogP value of 5.45458 indicates that (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile. Following Lipinski's Rule of Five, (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile 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 (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile?
The CAS number of (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile is 866019-86-5.
What is the molecular formula of (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile?
The molecular formula of (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile is C29H28N4O2S.
What is the molecular weight of (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile?
The molecular weight of (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile is 496.19 g/mol.
Where can I buy (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile?
You can request a quote for (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.