![3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/607/607697-35-8.png)
3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 607697-35-8) is a chemical compound with molecular formula C25H22Cl2N2S and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((3,4-dichlorobenzyl)thio)-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C25H22Cl2N2S |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 7.21638 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.08807 |
| Heavy Atoms | 30 |
| Complexity | 1090.5381 |
Chemical Identifiers
| CAS Number | 607697-35-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC(=C2C#N)SCC3=CC(=C(C=C3)Cl)Cl)CCC4=CC=CC=C4 |
Product Overview
3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 607697-35-8), with molecular formula C25H22Cl2N2S and molecular weight 452.09 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 7.21638 indicates that 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-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-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-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-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 607697-35-8.
What is the molecular formula of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C25H22Cl2N2S.
What is the molecular weight of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 452.09 g/mol.
Where can I buy 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-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-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.