![ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate structure](/static/products/872/87202-56-0.png)
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate
TL;DR: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate (CAS 87202-56-0) 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.
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate
Also Known As: Pyrene,1-ethyl, ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate, J1.165.853I, Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)hexanoate, ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]hexanoate
| Molecular Formula | C11H17N3O4S |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 287.09396 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 87202-56-0 |
|---|---|
| SMILES | CCCCC(C(=O)OCC)SC1=NNC(=O)NC1=O |
| InChIKey | PJAKCSDMFBSXFZ-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate (CAS 87202-56-0), with molecular formula C11H17N3O4S and molecular weight 287.09 g/mol. IUPAC: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate.
Chemical Property Profile of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate
Property Insights of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate. Following Lipinski's Rule of Five, ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate 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 ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate?
The CAS number of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate is 87202-56-0.
What is the molecular formula of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate?
The molecular formula of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate is C11H17N3O4S.
What is the molecular weight of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate?
The molecular weight of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate is 287.09 g/mol.
Where can I buy ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate?
You can request a quote for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.