![1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/903/903849-52-5.png)
1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903849-52-5) is a chemical compound with molecular formula C22H32N4S and molecular weight 384.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-yl-3-(2-piperidin-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(piperidin-1-yl)-3-((2-(piperidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(piperidin-1-yl)-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-piperidin-1-yl-3-(2-piperidin-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C22H32N4S |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 4.40038 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.23477 |
| Heavy Atoms | 27 |
| Complexity | 684.5337 |
Chemical Identifiers
| CAS Number | 903849-52-5 |
|---|---|
| SMILES | C1CCN(CC1)CCSC2=C(C3=C(CCCC3)C(=N2)N4CCCCC4)C#N |
Product Overview
1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903849-52-5), with molecular formula C22H32N4S and molecular weight 384.23 g/mol. IUPAC: 1-piperidin-1-yl-3-(2-piperidin-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 4.40038 indicates that 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-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 43.16 Ų, 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 903849-52-5.
What is the molecular formula of 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C22H32N4S.
What is the molecular weight of 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 384.23 g/mol.
Where can I buy 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-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-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-piperidyl)-3-[2-(1-piperidyl)ethylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.