Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate
TL;DR: Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate (CAS 33919-45-8) is a chemical compound with molecular formula C21H27N3O9 and molecular weight 465.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-[2,4,6-trioxo-3,5-bis(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate
Also Known As: Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate, triallyl2,4,6-trioxo-1,3,5-triazine-1,3,5 -tripropionate, triallyl 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, prop-2-enyl 3-[2,4,6-trioxo-3,5-bis(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate, 2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionic acid tri-2-propenyl ester
| Molecular Formula | C21H27N3O9 |
|---|---|
| Molecular Weight | 465.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 465.17474 |
| Heavy Atoms | 33 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 33919-45-8 |
|---|---|
| SMILES | C=CCOC(=O)CCN1C(=O)N(C(=O)N(C1=O)CCC(=O)OCC=C)CCC(=O)OCC=C |
| InChIKey | FGVDSXMHQJSIBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate (CAS 33919-45-8), with molecular formula C21H27N3O9 and molecular weight 465.17 g/mol. IUPAC: prop-2-enyl 3-[2,4,6-trioxo-3,5-bis(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate.
Chemical Property Profile of Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate
Property Insights of Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate. The TPSA of 140.0 Ų indicates high polarity, suggesting Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate 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 Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate?
The CAS number of Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate is 33919-45-8.
What is the molecular formula of Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate?
The molecular formula of Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate is C21H27N3O9.
What is the molecular weight of Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate?
The molecular weight of Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate is 465.17 g/mol.
Where can I buy Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate?
You can request a quote for Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate?
Yes, KEHONG BIO provides custom synthesis services for Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.