3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904010-62-4) is a chemical compound with molecular formula C15H19N3S and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(methylsulfanyl)-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(methylthio)-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-methylsulfanyl-1-tetrahydro-1 h -1-pyrrolyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C15H19N3S |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 3.15418 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.12997 |
| Heavy Atoms | 19 |
| Complexity | 527.1727 |
Chemical Identifiers
| CAS Number | 904010-62-4 |
|---|---|
| SMILES | CSC1=C(C2=C(CCCC2)C(=N1)N3CCCC3)C#N |
Product Overview
3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904010-62-4), with molecular formula C15H19N3S and molecular weight 273.13 g/mol. IUPAC: 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.15418 indicates that 3-methylsulfanyl-1-pyrrolidin-1-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 39.92 Ų, 3-methylsulfanyl-1-pyrrolidin-1-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-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 904010-62-4.
What is the molecular formula of 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C15H19N3S.
What is the molecular weight of 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 273.13 g/mol.
Where can I buy 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-methylsulfanyl-1-pyrrolidin-1-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-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-methylsulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.