1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315247-07-5) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-methyl-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-methyl-3-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.2219 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1190.8318 |
Chemical Identifiers
| CAS Number | 315247-07-5 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N |
Product Overview
1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315247-07-5), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: 1-methyl-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 4.2219 indicates that 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 6 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 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 315247-07-5.
What is the molecular formula of 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C22H18N2O3S.
What is the molecular weight of 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 390.10 g/mol.
Where can I buy 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.