![(E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile structure](/static/products/866/866018-67-9.png)
(E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile
TL;DR: (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile (CAS 866018-67-9) is a chemical compound with molecular formula C23H26N2O2S and molecular weight 394.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile
Also Known As: (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile, 2-(4-methylphenyl)sulfonyl-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile, (E)-2-(4-methylphenyl)sulfonyl-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile
| Molecular Formula | C23H26N2O2S |
|---|---|
| Molecular Weight | 394.17 g/mol |
| LogP | 4.742 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1715 |
| Heavy Atoms | 28 |
| Complexity | 1029.2623 |
Chemical Identifiers
| CAS Number | 866018-67-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC3=C(C=C2)N(CCC3)CC(C)C)C#N |
Product Overview
(E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile (CAS 866018-67-9), with molecular formula C23H26N2O2S and molecular weight 394.17 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile
Property Insights of (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile
The XLogP value of 4.742 indicates that (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile. Following Lipinski's Rule of Five, (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile has 0 hydrogen bond donor(s) and 4 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-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile?
The CAS number of (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile is 866018-67-9.
What is the molecular formula of (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile?
The molecular formula of (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile is C23H26N2O2S.
What is the molecular weight of (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile?
The molecular weight of (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile is 394.17 g/mol.
Where can I buy (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile?
You can request a quote for (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-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)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.