3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile
TL;DR: 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile (CAS 34582-49-5) is a chemical compound with molecular formula C12H12N6O3 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(2-cyanoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanenitrile
Also Known As: 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile, Tris(2-cyanoethyl)isocyanuric acid, 3-[3,5-bis(2-cyanoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanenitrile, tris-(2-cyanoethyl)isocyanuric acid, BAS 00526941
| Molecular Formula | C12H12N6O3 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.09708 |
| Heavy Atoms | 21 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 34582-49-5 |
|---|---|
| SMILES | C(CN1C(=O)N(C(=O)N(C1=O)CCC#N)CCC#N)C#N |
| InChIKey | UUBUCLKOQKIWKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile (CAS 34582-49-5), with molecular formula C12H12N6O3 and molecular weight 288.10 g/mol. IUPAC: 3-[3,5-bis(2-cyanoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanenitrile.
Chemical Property Profile of 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile
Property Insights of 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile
The XLogP value of -1.6 indicates that 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile. Following Lipinski's Rule of Five, 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile has 0 hydrogen bond donor(s) and 6 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 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile?
The CAS number of 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile is 34582-49-5.
What is the molecular formula of 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile?
The molecular formula of 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile is C12H12N6O3.
What is the molecular weight of 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile?
The molecular weight of 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile is 288.10 g/mol.
Where can I buy 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile?
You can request a quote for 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.