2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile
TL;DR: 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile (CAS 313379-85-0) is a chemical compound with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile, 2-((3,3-dimethyl-2-oxobutyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C20H22N2OS2 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 5.26788 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.11737 |
| Heavy Atoms | 25 |
| Complexity | 826.8566 |
Chemical Identifiers
| CAS Number | 313379-85-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3 |
Product Overview
2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile (CAS 313379-85-0), with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol. IUPAC: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile
Property Insights of 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile
The XLogP value of 5.26788 indicates that 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile 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 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile?
The CAS number of 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile is 313379-85-0.
What is the molecular formula of 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile?
The molecular formula of 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile is C20H22N2OS2.
What is the molecular weight of 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile?
The molecular weight of 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile is 370.12 g/mol.
Where can I buy 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile?
You can request a quote for 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3-dimethyl-2-oxobutylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-ca rbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.