![3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile structure](/static/products/4390/439096-33-0.webp)
3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
TL;DR: 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 439096-33-0) is a chemical compound with molecular formula C19H17N3S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyanomethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 2T-0260, 3-(cyanomethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(cyanomethylsulfanyl)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C19H17N3S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 4.42318 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.11432 |
| Heavy Atoms | 23 |
| Complexity | 810.47906 |
Chemical Identifiers
| CAS Number | 439096-33-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C3=C2CCCC3)C#N)SCC#N |
Product Overview
3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 439096-33-0), with molecular formula C19H17N3S and molecular weight 319.11 g/mol. IUPAC: 3-(cyanomethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
Property Insights of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
The XLogP value of 4.42318 indicates that 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile. Following Lipinski's Rule of Five, 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The CAS number of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 439096-33-0.
What is the molecular formula of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular formula of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is C19H17N3S.
What is the molecular weight of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
The molecular weight of 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile is 319.11 g/mol.
Where can I buy 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
You can request a quote for 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.