Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate
TL;DR: Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate (CAS 68839-43-0) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate
Also Known As: ChemDiv2_000044, BAS 00791885, methyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate, methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate, methyl 3-(3,5-dihydroxy-1,2,4-triazin-6-yl)propanoate
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 68839-43-0 |
|---|---|
| SMILES | COC(=O)CCC1=NNC(=O)NC1=O |
| InChIKey | FXKHJOGEEDBBKM-UHFFFAOYSA-N |
Product Overview
Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate (CAS 68839-43-0), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: methyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate.
Chemical Property Profile of Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate
Property Insights of Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate
The XLogP value of -0.5 indicates that Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate has 2 hydrogen bond donor(s) and 5 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 Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
The CAS number of Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is 68839-43-0.
What is the molecular formula of Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
The molecular formula of Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is C7H9N3O4.
What is the molecular weight of Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
The molecular weight of Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is 199.06 g/mol.
Where can I buy Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
You can request a quote for Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.