1,3,4,6,7-Pentaazacycl(3.3.3)azine
TL;DR: 1,3,4,6,7-Pentaazacycl(3.3.3)azine (CAS 54499-06-8) is a chemical compound with molecular formula C7H4N6 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6,8,10,13-hexazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
Also Known As: 1,3,4,6,7-Pentaazacycl(3.3.3)azine, 1,3,4,6,7,9b-Hexaazaphenalene, 1,3,4,6,7-Pentaazacycl[3.3.3]azine, 1,3,3a1,4,6,7-hexaazaphenalene, J3.803.305K
| Molecular Formula | C7H4N6 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.04974 |
| Heavy Atoms | 13 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 54499-06-8 |
|---|---|
| SMILES | C1=CN=C2N=CN=C3N2C1=NC=N3 |
| InChIKey | FVHMYFABPKUJKH-UHFFFAOYSA-N |
Product Overview
1,3,4,6,7-Pentaazacycl(3.3.3)azine (CAS 54499-06-8), with molecular formula C7H4N6 and molecular weight 172.05 g/mol. IUPAC: 2,4,6,8,10,13-hexazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.
Chemical Property Profile of 1,3,4,6,7-Pentaazacycl(3.3.3)azine
Property Insights of 1,3,4,6,7-Pentaazacycl(3.3.3)azine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,6,7-Pentaazacycl(3.3.3)azine. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4,6,7-Pentaazacycl(3.3.3)azine. Following Lipinski's Rule of Five, 1,3,4,6,7-Pentaazacycl(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 1,3,4,6,7-Pentaazacycl(3.3.3)azine?
The CAS number of 1,3,4,6,7-Pentaazacycl(3.3.3)azine is 54499-06-8.
What is the molecular formula of 1,3,4,6,7-Pentaazacycl(3.3.3)azine?
The molecular formula of 1,3,4,6,7-Pentaazacycl(3.3.3)azine is C7H4N6.
What is the molecular weight of 1,3,4,6,7-Pentaazacycl(3.3.3)azine?
The molecular weight of 1,3,4,6,7-Pentaazacycl(3.3.3)azine is 172.05 g/mol.
Where can I buy 1,3,4,6,7-Pentaazacycl(3.3.3)azine?
You can request a quote for 1,3,4,6,7-Pentaazacycl(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 1,3,4,6,7-Pentaazacycl(3.3.3)azine?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,6,7-Pentaazacycl(3.3.3)azine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.