2,4,6-Tricyanomethoxy-s-triazine
TL;DR: 2,4,6-Tricyanomethoxy-s-triazine (CAS 891-64-5) is a chemical compound with molecular formula C9H6N6O3 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,6-bis(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile
Also Known As: starbld0029335, 2,4,6-Tricyanomethoxy-s-triazine, tris-(cyanomethyl) cyanurate, 1,3,5-Triazine, 2,4,6-tris(cyanomethoxy)-, KST-1B9417
| Molecular Formula | C9H6N6O3 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.05014 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 891-64-5 |
|---|---|
| SMILES | C(C#N)OC1=NC(=NC(=N1)OCC#N)OCC#N |
| InChIKey | GBJMWHBPMHYWGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Tricyanomethoxy-s-triazine (CAS 891-64-5), with molecular formula C9H6N6O3 and molecular weight 246.05 g/mol. IUPAC: 2-[[4,6-bis(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile.
Chemical Property Profile of 2,4,6-Tricyanomethoxy-s-triazine
Property Insights of 2,4,6-Tricyanomethoxy-s-triazine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Tricyanomethoxy-s-triazine. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Tricyanomethoxy-s-triazine. Following Lipinski's Rule of Five, 2,4,6-Tricyanomethoxy-s-triazine has 0 hydrogen bond donor(s) and 9 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 2,4,6-Tricyanomethoxy-s-triazine?
The CAS number of 2,4,6-Tricyanomethoxy-s-triazine is 891-64-5.
What is the molecular formula of 2,4,6-Tricyanomethoxy-s-triazine?
The molecular formula of 2,4,6-Tricyanomethoxy-s-triazine is C9H6N6O3.
What is the molecular weight of 2,4,6-Tricyanomethoxy-s-triazine?
The molecular weight of 2,4,6-Tricyanomethoxy-s-triazine is 246.05 g/mol.
Where can I buy 2,4,6-Tricyanomethoxy-s-triazine?
You can request a quote for 2,4,6-Tricyanomethoxy-s-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tricyanomethoxy-s-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tricyanomethoxy-s-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.