![3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/401/401845-83-8.png)
3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 401845-83-8) is a chemical compound with molecular formula C26H25ClN2O3S and molecular weight 480.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((4-chlorobenzyl)thio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(4-CHLOROBENZYL)SULFANYL]-1-(3,4,5-TRIMETHOXYPHENYL)-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE, 3-[(4-chlorophenyl)methylsulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(4-chlorophenyl)methylthio]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrois oquinoline-4-carbonitrile
| Molecular Formula | C26H25ClN2O3S |
|---|---|
| Molecular Weight | 480.13 g/mol |
| LogP | 6.47058 |
| Topological Polar Surface Area | 64.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.12744 |
| Heavy Atoms | 33 |
| Complexity | 1180.6345 |
Chemical Identifiers
| CAS Number | 401845-83-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC(=C(C3=C2CCCC3)C#N)SCC4=CC=C(C=C4)Cl |
Product Overview
3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 401845-83-8), with molecular formula C26H25ClN2O3S and molecular weight 480.13 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 6.47058 indicates that 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 6 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)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 401845-83-8.
What is the molecular formula of 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C26H25ClN2O3S.
What is the molecular weight of 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 480.13 g/mol.
Where can I buy 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-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)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.