Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate
TL;DR: Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate (CAS 63272-54-8) is a chemical compound with molecular formula C14H15N5O2 and molecular weight 285.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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: Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate, 4-(5-methyl-1,3,4,6,9b-pentaaza-phenalen-2-yl)-butyric acid, 1,3,4,6,9b-Pentaazaphenalene-2-butanoic acid, 5-methyl-, methyl ester, 1,4,6,9b-Pentaazaphenalene-2-butanoic acid, 5-methyl-, methyl ester, 4-(5-methyl-1,3,4,6,9b-pentaaza-phenalen-2-yl)-butyric acid methyl ester
| Molecular Formula | C14H15N5O2 |
|---|---|
| Molecular Weight | 285.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.1226 |
| Heavy Atoms | 21 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 63272-54-8 |
|---|---|
| SMILES | CC1=NC2=NC(=NC3=CC=CC(=N1)N32)CCCC(=O)OC |
| InChIKey | PNXTZKIKKMQHCX-UHFFFAOYSA-N |
Product Overview
Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate (CAS 63272-54-8), with molecular formula C14H15N5O2 and molecular weight 285.12 g/mol. IUPAC: methyl 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 Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate
Property Insights of Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate. Following Lipinski's Rule of Five, Methyl 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 Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
The CAS number of Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate is 63272-54-8.
What is the molecular formula of Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
The molecular formula of Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate is C14H15N5O2.
What is the molecular weight of Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
The molecular weight of Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate is 285.12 g/mol.
Where can I buy Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
You can request a quote for Methyl 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 Methyl 4-(5-methyl-1,3,4,6,9b-pentaazaphenalen-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.