4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine
TL;DR: 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine (CAS 38713-72-3) is a chemical compound with molecular formula C10H9N5 and molecular weight 199.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Also Known As: 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine, 4,12-Dimethyl-3,5,11,13-tetraazacyl[3.3.3]azine, 2,5-Dimethyl-1,3,4,6,9b-pentaazaphenalene, J3.325.482B, 2,5-Dimethyl-1,3,4,6,9b-pentaaza-9bH-phenalene
| Molecular Formula | C10H9N5 |
|---|---|
| Molecular Weight | 199.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.0858 |
| Heavy Atoms | 15 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 38713-72-3 |
|---|---|
| SMILES | CC1=NC2=CC=CC3=NC(=NC(=N1)N32)C |
| InChIKey | WZWLWTCVIAYZBQ-UHFFFAOYSA-N |
Product Overview
4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine (CAS 38713-72-3), with molecular formula C10H9N5 and molecular weight 199.09 g/mol. IUPAC: 3,7-dimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene.
Chemical Property Profile of 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine
Property Insights of 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine. With a topological polar surface area (TPSA) of 52.7 Ų, 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine has 0 hydrogen bond donor(s) and 1 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 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine?
The CAS number of 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine is 38713-72-3.
What is the molecular formula of 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine?
The molecular formula of 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine is C10H9N5.
What is the molecular weight of 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine?
The molecular weight of 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine is 199.09 g/mol.
Where can I buy 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine?
You can request a quote for 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine?
Yes, KEHONG BIO provides custom synthesis services for 4,12-Dimethyl-3,5,11,13-tetraazacyl(3.3.3)azine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.