1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester
TL;DR: 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester (CAS 37550-67-7) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carboxylate
Also Known As: 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester, 2-Methyl-1,3,6,9b-tetraazaphenalene-4-carboxylic acid ethyl ester, Ethyl 2-methyl-1,3,6,9b-tetraazaphenalene-4-carboxylate, Ethyl 2-methyl-1,3,6,9b-tetraazaphenalene-4-carboxylate #, ethyl 3-methyl-2,4,8,13-tetraazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene-6-carboxylate
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 37550-67-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC=C3N2C1=NC(=N3)C |
| InChIKey | YLHZYWXGLBGKAI-UHFFFAOYSA-N |
Product Overview
1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester (CAS 37550-67-7), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: ethyl 3-methyl-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carboxylate.
Chemical Property Profile of 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester
Property Insights of 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester. Following Lipinski's Rule of Five, 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester 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 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester?
The CAS number of 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester is 37550-67-7.
What is the molecular formula of 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester?
The molecular formula of 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester is C13H12N4O2.
What is the molecular weight of 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester?
The molecular weight of 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester is 256.10 g/mol.
Where can I buy 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester?
You can request a quote for 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.