methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate
TL;DR: methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate (CAS 1008201-60-2) is a chemical compound with molecular formula C9H14N4O4 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-3-methylbutanoate
Also Known As: methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate, methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-3-methylbutanoate
| Molecular Formula | C9H14N4O4 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | -0.9323 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.1015 |
| Heavy Atoms | 17 |
| Complexity | 504.20758 |
Chemical Identifiers
| CAS Number | 1008201-60-2 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC1=NNC(=O)NC1=O |
Product Overview
methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate (CAS 1008201-60-2), with molecular formula C9H14N4O4 and molecular weight 242.10 g/mol. IUPAC: methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-3-methylbutanoate.
Chemical Property Profile of methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate
Property Insights of methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate
The XLogP value of -0.9323 indicates that methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate. Following Lipinski's Rule of Five, methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate has 3 hydrogen bond donor(s) and 6 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 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate?
The CAS number of methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate is 1008201-60-2.
What is the molecular formula of methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate?
The molecular formula of methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate is C9H14N4O4.
What is the molecular weight of methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate?
The molecular weight of methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate is 242.10 g/mol.
Where can I buy methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate?
You can request a quote for methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.