3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 607696-46-8) is a chemical compound with molecular formula C24H21ClN2S and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(4-chlorobenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C24H21ClN2S |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 6.7532 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1114 |
| Heavy Atoms | 28 |
| Complexity | 1034.1857 |
Chemical Identifiers
| CAS Number | 607696-46-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C3=C2CCCC3)C#N)SCC4=CC=C(C=C4)Cl |
Product Overview
3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 607696-46-8), with molecular formula C24H21ClN2S and molecular weight 404.11 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 6.7532 indicates that 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-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-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 607696-46-8.
What is the molecular formula of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C24H21ClN2S.
What is the molecular weight of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 404.11 g/mol.
Where can I buy 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-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-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-chlorobenzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.