Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate
TL;DR: Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate (CAS 63272-56-0) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 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)butanoate
Also Known As: Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 63272-56-0 |
|---|---|
| SMILES | CCCOC(=O)CCCC1=NC2=CC=CC3=NC(=NC(=N1)N32)C |
| InChIKey | XPOYSIFPSLVGEQ-UHFFFAOYSA-N |
Product Overview
Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate (CAS 63272-56-0), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: propyl 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)butanoate.
Chemical Property Profile of Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate
Property Insights of Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate
The XLogP value of 3.0 indicates that Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate. Following Lipinski's Rule of Five, Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate has 0 hydrogen bond donor(s) and 3 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 Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
The CAS number of Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate is 63272-56-0.
What is the molecular formula of Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
The molecular formula of Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate is C16H19N5O2.
What is the molecular weight of Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
The molecular weight of Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate is 313.15 g/mol.
Where can I buy Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
You can request a quote for Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.