![3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/903/903185-75-1.png)
3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903185-75-1) is a chemical compound with molecular formula C22H32N4O and molecular weight 368.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-isobutyl-3-(4-isobutyrylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C22H32N4O |
|---|---|
| Molecular Weight | 368.26 g/mol |
| LogP | 3.33518 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.2576 |
| Heavy Atoms | 27 |
| Complexity | 739.66016 |
Chemical Identifiers
| CAS Number | 903185-75-1 |
|---|---|
| SMILES | CC(C)CC1=NC(=C(C2=C1CCCC2)C#N)N3CCN(CC3)C(=O)C(C)C |
Product Overview
3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903185-75-1), with molecular formula C22H32N4O and molecular weight 368.26 g/mol. IUPAC: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.33518 indicates that 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-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-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 903185-75-1.
What is the molecular formula of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C22H32N4O.
What is the molecular weight of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 368.26 g/mol.
Where can I buy 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-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-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.