![6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/3133/313379-63-4.webp)
6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 313379-63-4) is a chemical compound with molecular formula C27H28N2O2S2 and molecular weight 476.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-(tert-butyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 6-(tert-butyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-tert-butyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C27H28N2O2S2 |
|---|---|
| Molecular Weight | 476.16 g/mol |
| LogP | 6.81638 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.1592 |
| Heavy Atoms | 33 |
| Complexity | 1186.8398 |
Chemical Identifiers
| CAS Number | 313379-63-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)OC)C#N)C4=CC=CS4 |
Product Overview
6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 313379-63-4), with molecular formula C27H28N2O2S2 and molecular weight 476.16 g/mol. IUPAC: 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 6.81638 indicates that 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile 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 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 313379-63-4.
What is the molecular formula of 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C27H28N2O2S2.
What is the molecular weight of 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 476.16 g/mol.
Where can I buy 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-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-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-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.