9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile
TL;DR: 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile (CAS 37160-10-4) is a chemical compound with molecular formula C11H6BrN5 and molecular weight 286.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-bromo-3-methyl-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene-6-carbonitrile
Also Known As: 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile, 1,3,6,9b-Tetraazaphenalene-4-carbonitrile, 9-bromo-2-methyl-, 1,3,6,9b-Tetraazaphenalene-4-carbonitrile,9-bromo-2-methyl, 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile #, 12-bromo-3-methyl-2,4,8,13-tetraazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carbonitrile
| Molecular Formula | C11H6BrN5 |
|---|---|
| Molecular Weight | 286.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.98065 |
| Heavy Atoms | 17 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 37160-10-4 |
|---|---|
| SMILES | CC1=NC2=C(C=NC3=CC=C(C(=N1)N32)Br)C#N |
| InChIKey | QPPAEAVMGJGIJY-UHFFFAOYSA-N |
Product Overview
9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile (CAS 37160-10-4), with molecular formula C11H6BrN5 and molecular weight 286.98 g/mol. IUPAC: 12-bromo-3-methyl-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene-6-carbonitrile.
Chemical Property Profile of 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile
Property Insights of 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile. Following Lipinski's Rule of Five, 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile 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 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile?
The CAS number of 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile is 37160-10-4.
What is the molecular formula of 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile?
The molecular formula of 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile is C11H6BrN5.
What is the molecular weight of 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile?
The molecular weight of 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile is 286.98 g/mol.
Where can I buy 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile?
You can request a quote for 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-2-methyl-1,3,6,9b-tetraazaphenalene-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.