Diallyl Isocyanurate
TL;DR: Diallyl Isocyanurate (CAS 6294-79-7) is a chemical compound with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: Diallyl Isocyanurate, 1,3-Diallyl-1,3,5-triazinane-2,4,6-trione, Diallyl isokyanuran, 1,3-Diallylisocyanurate, Diallyl isokyanuran [Czech]
| Molecular Formula | C9H11N3O3 |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.08005 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 6294-79-7 |
|---|---|
| SMILES | C=CCN1C(=O)NC(=O)N(C1=O)CC=C |
| InChIKey | UCBVELLBUAKUNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl Isocyanurate (CAS 6294-79-7), with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol. IUPAC: 1,3-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Diallyl Isocyanurate
Property Insights of Diallyl Isocyanurate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl Isocyanurate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diallyl Isocyanurate. Following Lipinski's Rule of Five, Diallyl Isocyanurate has 1 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 Diallyl Isocyanurate?
The CAS number of Diallyl Isocyanurate is 6294-79-7.
What is the molecular formula of Diallyl Isocyanurate?
The molecular formula of Diallyl Isocyanurate is C9H11N3O3.
What is the molecular weight of Diallyl Isocyanurate?
The molecular weight of Diallyl Isocyanurate is 209.08 g/mol.
Where can I buy Diallyl Isocyanurate?
You can request a quote for Diallyl Isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl Isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl Isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.