![6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile structure](/static/products/3545/354554-35-1.webp)
6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
TL;DR: 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 354554-35-1) is a chemical compound with molecular formula C29H32N2O2S and molecular weight 472.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, AM-807/13103057, 6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-tert-butyl-4-(4-methoxyphenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-(tert-butyl)-2-((3-methoxybenzyl)thio)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C29H32N2O2S |
|---|---|
| Molecular Weight | 472.22 g/mol |
| LogP | 7.08078 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.21844 |
| Heavy Atoms | 34 |
| Complexity | 1206.5259 |
Chemical Identifiers
| CAS Number | 354554-35-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC(=CC=C3)OC)C#N)C4=CC=C(C=C4)OC |
Product Overview
6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 354554-35-1), with molecular formula C29H32N2O2S and molecular weight 472.22 g/mol. IUPAC: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Property Insights of 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
The XLogP value of 7.08078 indicates that 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 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)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The CAS number of 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 354554-35-1.
What is the molecular formula of 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular formula of 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is C29H32N2O2S.
What is the molecular weight of 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular weight of 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 472.22 g/mol.
Where can I buy 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
You can request a quote for 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 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)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(tert-butyl)-2-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.