![3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/371/371940-69-1.png)
3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371940-69-1) is a chemical compound with molecular formula C21H21Cl2N3OS and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((3,4-dichlorobenzyl)thio)-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[(3,4-DICHLOROPHENYL)METHYL]SULFANYL}-1-(MORPHOLIN-4-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE-4-CARBONITRILE
| Molecular Formula | C21H21Cl2N3OS |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 5.26778 |
| Topological Polar Surface Area | 49.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.07825 |
| Heavy Atoms | 28 |
| Complexity | 922.84235 |
Chemical Identifiers
| CAS Number | 371940-69-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2N3CCOCC3)SCC4=CC(=C(C=C4)Cl)Cl)C#N |
Product Overview
3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371940-69-1), with molecular formula C21H21Cl2N3OS and molecular weight 433.08 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 5.26778 indicates that 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-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 49.15 Ų, 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-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-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 371940-69-1.
What is the molecular formula of 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C21H21Cl2N3OS.
What is the molecular weight of 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 433.08 g/mol.
Where can I buy 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-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-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dichlorobenzyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.