(3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile
TL;DR: (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile (CAS 893770-15-5) is a chemical compound with molecular formula C7H8N4O3 and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile
Also Known As: (3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile, 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile, A4119/0175621, 1,3,5-triazine-1(2H)-acetonitrile, tetrahydro-3,5-dimethyl-2,4,6-trioxo-, (3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl cyanide
| Molecular Formula | C7H8N4O3 |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | -2.23072 |
| Topological Polar Surface Area | 89.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.05965 |
| Heavy Atoms | 14 |
| Complexity | 528.30865 |
Chemical Identifiers
| CAS Number | 893770-15-5 |
|---|---|
| SMILES | CN1C(=O)N(C(=O)N(C1=O)CC#N)C |
Product Overview
(3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile (CAS 893770-15-5), with molecular formula C7H8N4O3 and molecular weight 196.06 g/mol. IUPAC: 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile.
Chemical Property Profile of (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile
Property Insights of (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile
The XLogP value of -2.23072 indicates that (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile. Following Lipinski's Rule of Five, (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile has 0 hydrogen bond donor(s) and 4 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 (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile?
The CAS number of (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile is 893770-15-5.
What is the molecular formula of (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile?
The molecular formula of (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile is C7H8N4O3.
What is the molecular weight of (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile?
The molecular weight of (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile is 196.06 g/mol.
Where can I buy (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile?
You can request a quote for (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.