2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene
TL;DR: 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene (CAS 82501-05-1) is a chemical compound with molecular formula C11H4Cl3N5 and molecular weight 310.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trichloromethyl)-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carbonitrile
Also Known As: 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene, 2-(Trichloromethyl)-1,3,6,9b-tetraazaphenalene-4-carbonitrile, 3-(Trichloromethyl)-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carbonitrile
| Molecular Formula | C11H4Cl3N5 |
|---|---|
| Molecular Weight | 310.95 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.95322 |
| Heavy Atoms | 19 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 82501-05-1 |
|---|---|
| SMILES | C1=CC2=NC=C(C3=NC(=NC(=C1)N23)C(Cl)(Cl)Cl)C#N |
| InChIKey | MOHZQCNWWKCUKT-UHFFFAOYSA-N |
Product Overview
2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene (CAS 82501-05-1), with molecular formula C11H4Cl3N5 and molecular weight 310.95 g/mol. IUPAC: 3-(trichloromethyl)-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carbonitrile.
Chemical Property Profile of 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene
Property Insights of 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene. Following Lipinski's Rule of Five, 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene 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 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene?
The CAS number of 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene is 82501-05-1.
What is the molecular formula of 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene?
The molecular formula of 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene is C11H4Cl3N5.
What is the molecular weight of 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene?
The molecular weight of 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene is 310.95 g/mol.
Where can I buy 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene?
You can request a quote for 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene?
Yes, KEHONG BIO provides custom synthesis services for 2-Trichloromethyl-4-cyano-1,3,6,9b-tetraazaphenalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.