Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
TL;DR: Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one (CAS 19708-68-0) is a chemical compound with molecular formula C5H11N3O3 and molecular weight 161.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one
Also Known As: 1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one, KST-1B1496, Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one, 1,3,5-Triazin-2(1H)-one,tetrahydro-1,3-bis(hydroxymethyl)-, 3,4,5,6-Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11N3O3 |
| Molecular Weight | 161.08005 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08005 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| SMILES | C1NCN(C(=O)N1CO)CO |
| InChIKey | PEFFWBKKAGDQJR-UHFFFAOYSA-N |
Chemical Property Profile of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
Property Insights of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
The XLogP value of -1.3 indicates that Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one. Following Lipinski's Rule of Five, Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one?
The CAS number of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one is 19708-68-0.
What is the molecular formula of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one?
The molecular formula of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one is C5H11N3O3.
What is the molecular weight of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one?
The molecular weight of Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one is 161.08005 g/mol.
Where can I buy Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one?
You can request a quote for Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.