![ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate structure](/static/products/877/87733-47-9.png)
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate
TL;DR: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate (CAS 87733-47-9) is a chemical compound with molecular formula C13H21N3O4S and molecular weight 315.13 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]octanoate
Also Known As: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate, Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]octanoate
| Molecular Formula | C13H21N3O4S |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 315.12527 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 87733-47-9 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCC)SC1=NNC(=O)NC1=O |
| InChIKey | WDPGGLBATCFSSW-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate (CAS 87733-47-9), with molecular formula C13H21N3O4S and molecular weight 315.13 g/mol. IUPAC: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate.
Chemical Property Profile of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate
Property Insights of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate
The XLogP value of 3.2 indicates that ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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]octanoate. Following Lipinski's Rule of Five, ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate 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]octanoate?
The CAS number of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate is 87733-47-9.
What is the molecular formula of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate?
The molecular formula of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate is C13H21N3O4S.
What is the molecular weight of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate?
The molecular weight of ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate is 315.13 g/mol.
Where can I buy ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate?
You can request a quote for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate 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]octanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.