3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 607696-40-2) is a chemical compound with molecular formula C19H20N2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(ethylthio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-ethylsulfanyl-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C19H20N2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 4.9195 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1347 |
| Heavy Atoms | 22 |
| Complexity | 726.5809 |
Chemical Identifiers
| CAS Number | 607696-40-2 |
|---|---|
| SMILES | CCSC1=C(C2=C(CCCC2)C(=N1)C3=CC=C(C=C3)C)C#N |
Product Overview
3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 607696-40-2), with molecular formula C19H20N2S and molecular weight 308.13 g/mol. IUPAC: 3-ethylsulfanyl-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 4.9195 indicates that 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 607696-40-2.
What is the molecular formula of 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C19H20N2S.
What is the molecular weight of 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 308.13 g/mol.
Where can I buy 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-(ethylsulfanyl)-1-(4-methylphenyl)-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 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(ethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.