S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-
TL;DR: S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- (CAS 27694-82-2) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-, 1-benzyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione, 1-Benzyl-3,5-di(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione, S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-,, RefChem:379719
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 27694-82-2 |
|---|---|
| SMILES | C=CCN1C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC=C |
| InChIKey | RPZFNZAMUHPNCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- (CAS 27694-82-2), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 1-benzyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-
Property Insights of S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-. Following Lipinski's Rule of Five, S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- has 0 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 S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-?
The CAS number of S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- is 27694-82-2.
What is the molecular formula of S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-?
The molecular formula of S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- is C16H17N3O3.
What is the molecular weight of S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-?
The molecular weight of S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- is 299.13 g/mol.
Where can I buy S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-?
You can request a quote for S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-?
Yes, KEHONG BIO provides custom synthesis services for S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.