Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate
TL;DR: Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate (CAS 37550-66-6) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carboxylate
Also Known As: Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate, 1,3,6,9b-Tetraazaphenalene-4-carboxylicacidethylester, 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid ethyl ester, 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, ethyl ester, Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate #
| Molecular Formula | C12H10N4O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.08037 |
| Heavy Atoms | 18 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 37550-66-6 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC=C3N2C1=NC=N3 |
| InChIKey | OEHCVTSREKLEOH-UHFFFAOYSA-N |
Product Overview
Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate (CAS 37550-66-6), with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol. IUPAC: ethyl 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 Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate
Property Insights of Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate 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 Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate?
The CAS number of Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate is 37550-66-6.
What is the molecular formula of Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate?
The molecular formula of Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate is C12H10N4O2.
What is the molecular weight of Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate?
The molecular weight of Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate is 242.08 g/mol.
Where can I buy Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate?
You can request a quote for Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.