6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 327166-99-4) is a chemical compound with molecular formula C26H28N2OS2 and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-(tert-butyl)-2-[(3-methoxyphenyl)methylthio]-4-(2-thienyl)-5,6,7,8-tetrahydr oquinoline-3-carbonitrile, 6-tert-butyl-2-[(3-methoxybenzyl)sulfanyl]-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C26H28N2OS2 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 7.13368 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.1643 |
| Heavy Atoms | 31 |
| Complexity | 1107.6661 |
Chemical Identifiers
| CAS Number | 327166-99-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC(=CC=C3)OC)C#N)C4=CC=CS4 |
Product Overview
6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 327166-99-4), with molecular formula C26H28N2OS2 and molecular weight 448.16 g/mol. IUPAC: 6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 7.13368 indicates that 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 327166-99-4.
What is the molecular formula of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C26H28N2OS2.
What is the molecular weight of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 448.16 g/mol.
Where can I buy 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.