1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 386744-84-9) is a chemical compound with molecular formula C15H18N2S and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-(allylthio)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-ethyl-3-prop-2-enylthio-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-ethyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C15H18N2S |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | 3.67258 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.11908 |
| Heavy Atoms | 18 |
| Complexity | 500.19556 |
Chemical Identifiers
| CAS Number | 386744-84-9 |
|---|---|
| SMILES | CCC1=NC(=C(C2=C1CCCC2)C#N)SCC=C |
Product Overview
1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 386744-84-9), with molecular formula C15H18N2S and molecular weight 258.12 g/mol. IUPAC: 1-ethyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.67258 indicates that 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-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, 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 386744-84-9.
What is the molecular formula of 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C15H18N2S.
What is the molecular weight of 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 258.12 g/mol.
Where can I buy 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-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 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.