4,6-Dimethoxy-1,3,5-triazin-2(1H)-one
TL;DR: 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one (CAS 1075-59-8) is a chemical compound with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethoxy-1H-1,3,5-triazin-2-one
Also Known As: 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one, dimethyl cyanurate, 4,6-dimethoxy-1H-1,3,5-triazin-2-one, Pemetrexed Impurity 3, Pemetrexed Impurity 22
| Molecular Formula | C5H7N3O3 |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.04874 |
| Heavy Atoms | 11 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 1075-59-8 |
|---|---|
| SMILES | COC1=NC(=NC(=O)N1)OC |
| InChIKey | ABWQLBWYPYHBHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethoxy-1,3,5-triazin-2(1H)-one (CAS 1075-59-8), with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol. IUPAC: 4,6-dimethoxy-1H-1,3,5-triazin-2-one.
Chemical Property Profile of 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one
Property Insights of 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one. Following Lipinski's Rule of Five, 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one 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 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one?
The CAS number of 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one is 1075-59-8.
What is the molecular formula of 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one?
The molecular formula of 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one is C5H7N3O3.
What is the molecular weight of 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one?
The molecular weight of 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one is 157.05 g/mol.
Where can I buy 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one?
You can request a quote for 4,6-Dimethoxy-1,3,5-triazin-2(1H)-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-Dimethoxy-1,3,5-triazin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.