Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate
TL;DR: Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate (CAS 301688-50-6) is a chemical compound with molecular formula C10H15N3O4S and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
Also Known As: BAS 00907240, AE-641/12195007, ISOBUTYL 2-((3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)THIO)PROPANOATE, 2-methylpropyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate, 2-methylpropyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)propanoate
| Molecular Formula | C10H15N3O4S |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 0.138 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.07834 |
| Heavy Atoms | 18 |
| Complexity | 522.34436 |
Chemical Identifiers
| CAS Number | 301688-50-6 |
|---|---|
| SMILES | CC(C)COC(=O)C(C)SC1=NNC(=O)NC1=O |
Product Overview
Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate (CAS 301688-50-6), with molecular formula C10H15N3O4S and molecular weight 273.08 g/mol. IUPAC: 2-methylpropyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate.
Chemical Property Profile of Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate
Property Insights of Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate
The XLogP value of 0.138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate. Following Lipinski's Rule of Five, Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate has 2 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 Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate?
The CAS number of Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate is 301688-50-6.
What is the molecular formula of Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate?
The molecular formula of Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate is C10H15N3O4S.
What is the molecular weight of Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate?
The molecular weight of Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate is 273.08 g/mol.
Where can I buy Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate?
You can request a quote for Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.