![3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate structure](/static/products/3016/301688-51-7.webp)
3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
TL;DR: 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate (CAS 301688-51-7) is a chemical compound with molecular formula C11H17N3O4S and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
Also Known As: 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate, ISOPENTYL 2-((3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)THIO)PROPANOATE, 3-methylbutyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)propanoate, 3-methylbutyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate, 2-(3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylsulfanyl)-propionic acid 3-methyl-butyl ester
| Molecular Formula | C11H17N3O4S |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 0.5281 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.09396 |
| Heavy Atoms | 19 |
| Complexity | 537.2321 |
Chemical Identifiers
| CAS Number | 301688-51-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(C)SC1=NNC(=O)NC1=O |
Product Overview
3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate (CAS 301688-51-7), with molecular formula C11H17N3O4S and molecular weight 287.09 g/mol. IUPAC: 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate.
Chemical Property Profile of 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
Property Insights of 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
The XLogP value of 0.5281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]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 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate?
The CAS number of 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate is 301688-51-7.
What is the molecular formula of 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate?
The molecular formula of 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate is C11H17N3O4S.
What is the molecular weight of 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate?
The molecular weight of 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate is 287.09 g/mol.
Where can I buy 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate?
You can request a quote for 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.