1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903187-69-9) is a chemical compound with molecular formula C18H24N4O and molecular weight 312.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-methyl-3-(4-propionylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H24N4O |
|---|---|
| Molecular Weight | 312.19 g/mol |
| LogP | 2.1991 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.195 |
| Heavy Atoms | 23 |
| Complexity | 653.96594 |
Chemical Identifiers
| CAS Number | 903187-69-9 |
|---|---|
| SMILES | CCC(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C |
Product Overview
1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 903187-69-9), with molecular formula C18H24N4O and molecular weight 312.19 g/mol. IUPAC: 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 2.1991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 1-methyl-3-(4-propanoylpiperazin-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 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 903187-69-9.
What is the molecular formula of 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C18H24N4O.
What is the molecular weight of 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 312.19 g/mol.
Where can I buy 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-methyl-3-(4-propanoylpiperazin-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-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.