1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903585-49-9) is a chemical compound with molecular formula C18H26N4 and molecular weight 298.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-butyl-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H26N4 |
|---|---|
| Molecular Weight | 298.22 g/mol |
| LogP | 2.58428 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.21576 |
| Heavy Atoms | 22 |
| Complexity | 567.43036 |
Chemical Identifiers
| CAS Number | 903585-49-9 |
|---|---|
| SMILES | CCCCC1=NC(=C(C2=C1CCCC2)C#N)N3CCNCC3 |
Product Overview
1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903585-49-9), with molecular formula C18H26N4 and molecular weight 298.22 g/mol. IUPAC: 1-butyl-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 2.58428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. With a topological polar surface area (TPSA) of 51.95 Ų, 1-Butyl-3-(piperazin-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, 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 1 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 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 903585-49-9.
What is the molecular formula of 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C18H26N4.
What is the molecular weight of 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 298.22 g/mol.
Where can I buy 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-Butyl-3-(piperazin-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 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.