4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one
TL;DR: 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one (CAS 63272-59-3) is a chemical compound with molecular formula C18H22N6O and molecular weight 338.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-methyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)-1-piperidin-1-ylbutan-1-one
Also Known As: 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one, 4-(7-Methyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)-1-piperidin-1-ylbutan-1-one
| Molecular Formula | C18H22N6O |
|---|---|
| Molecular Weight | 338.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.18552 |
| Heavy Atoms | 25 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 63272-59-3 |
|---|---|
| SMILES | CC1=NC2=NC(=NC3=CC=CC(=N1)N32)CCCC(=O)N4CCCCC4 |
| InChIKey | ZIOMEALPWFKDFD-UHFFFAOYSA-N |
Product Overview
4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one (CAS 63272-59-3), with molecular formula C18H22N6O and molecular weight 338.19 g/mol. IUPAC: 4-(7-methyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl)-1-piperidin-1-ylbutan-1-one.
Chemical Property Profile of 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one
Property Insights of 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one. Following Lipinski's Rule of Five, 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one has 0 hydrogen bond donor(s) and 2 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 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one?
The CAS number of 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one is 63272-59-3.
What is the molecular formula of 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one?
The molecular formula of 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one is C18H22N6O.
What is the molecular weight of 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one?
The molecular weight of 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one is 338.19 g/mol.
Where can I buy 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one?
You can request a quote for 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)-1-(piperidin-1-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.