3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315246-79-8) is a chemical compound with molecular formula C24H19BrN2OS and molecular weight 462.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-bromophenyl)-2-oxoethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[2-(2-bromophenyl)-2-oxo-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[2-(2-bromophenyl)-2-oxoethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[2-(2-bromophenyl)-2-oxoethylthio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4 -carbonitrile, 3-{[2-(2-bromophenyl)-2-oxoethyl]sulfanyl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C24H19BrN2OS |
|---|---|
| Molecular Weight | 462.04 g/mol |
| LogP | 6.23658 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.04016 |
| Heavy Atoms | 29 |
| Complexity | 1105.8538 |
Chemical Identifiers
| CAS Number | 315246-79-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4Br)C#N |
Product Overview
3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315246-79-8), with molecular formula C24H19BrN2OS and molecular weight 462.04 g/mol. IUPAC: 3-[2-(2-bromophenyl)-2-oxoethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 6.23658 indicates that 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-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 53.75 Ų, 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 315246-79-8.
What is the molecular formula of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C24H19BrN2OS.
What is the molecular weight of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 462.04 g/mol.
Where can I buy 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-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-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-(2-bromophenyl)-2-oxoethyl)thio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.