4,6-Dimethyl-1,3,5-triazinan-2-one
TL;DR: 4,6-Dimethyl-1,3,5-triazinan-2-one (CAS 30805-33-5) is a chemical compound with molecular formula C5H11N3O and molecular weight 129.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-1,3,5-triazinan-2-one
Also Known As: 4,6-dimethyl-1,3,5-triazinan-2-one, 4,6-dimethyl-[1,3,5]triazinan-2-one, J1.615.056H, TETRAHYDRO-4,6-DIMETHYL-S-TRIAZIN-2(1H)-ONE, 3,4,5,6-Tetrahydro-4,6-dimethyl-s-triazine-2(1H)-one
| Molecular Formula | C5H11N3O |
|---|---|
| Molecular Weight | 129.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.09021 |
| Heavy Atoms | 9 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 30805-33-5 |
|---|---|
| SMILES | CC1NC(NC(=O)N1)C |
| InChIKey | WXLKCKRVBKSTAW-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-1,3,5-triazinan-2-one (CAS 30805-33-5), with molecular formula C5H11N3O and molecular weight 129.09 g/mol. IUPAC: 4,6-dimethyl-1,3,5-triazinan-2-one.
Chemical Property Profile of 4,6-Dimethyl-1,3,5-triazinan-2-one
Property Insights of 4,6-Dimethyl-1,3,5-triazinan-2-one
The XLogP value of -0.2 indicates that 4,6-Dimethyl-1,3,5-triazinan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.2 Ų, 4,6-Dimethyl-1,3,5-triazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-1,3,5-triazinan-2-one has 3 hydrogen bond donor(s) and 2 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 4,6-Dimethyl-1,3,5-triazinan-2-one?
The CAS number of 4,6-Dimethyl-1,3,5-triazinan-2-one is 30805-33-5.
What is the molecular formula of 4,6-Dimethyl-1,3,5-triazinan-2-one?
The molecular formula of 4,6-Dimethyl-1,3,5-triazinan-2-one is C5H11N3O.
What is the molecular weight of 4,6-Dimethyl-1,3,5-triazinan-2-one?
The molecular weight of 4,6-Dimethyl-1,3,5-triazinan-2-one is 129.09 g/mol.
Where can I buy 4,6-Dimethyl-1,3,5-triazinan-2-one?
You can request a quote for 4,6-Dimethyl-1,3,5-triazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-1,3,5-triazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-1,3,5-triazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.