![Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate structure](/static/products/872/87202-59-3.png)
Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate
TL;DR: Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate (CAS 87202-59-3) is a chemical compound with molecular formula C17H29N3O4S and molecular weight 371.19 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]dodecanoate
Also Known As: J1.165.856C, ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]dodecanoate, ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate, ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]dodecanoa, 2-[[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine)-6-yl]thio]dodecanoic acid ethyl ester
| Molecular Formula | C17H29N3O4S |
|---|---|
| Molecular Weight | 371.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 371.18787 |
| Heavy Atoms | 25 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 87202-59-3 |
|---|---|
| SMILES | CCCCCCCCCCC(C(=O)OCC)SC1=NNC(=O)NC1=O |
| InChIKey | WKVOECQBWDOIBJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate (CAS 87202-59-3), with molecular formula C17H29N3O4S and molecular weight 371.19 g/mol. IUPAC: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]dodecanoate.
Chemical Property Profile of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate
Property Insights of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate
The XLogP value of 5.4 indicates that Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate 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-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate. Following Lipinski's Rule of Five, Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate?
The CAS number of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate is 87202-59-3.
What is the molecular formula of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate?
The molecular formula of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate is C17H29N3O4S.
What is the molecular weight of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate?
The molecular weight of Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate is 371.19 g/mol.
Where can I buy Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate?
You can request a quote for Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate 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-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.