![[3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate structure](/static/products/846/84608-13-9.png)
[3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
TL;DR: [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate (CAS 84608-13-9) is a chemical compound with molecular formula C35H33N3O11S and molecular weight 703.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
Also Known As: [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate|6-[(4-Ethoxy-4-oxobutyl)sulfanyl]-2-(2,3,5-tri-O-benzoylpentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C35H33N3O11S |
|---|---|
| Molecular Weight | 703.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 18 |
| Exact Mass | 703.1836 |
| Heavy Atoms | 50 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 84608-13-9 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | XJQZPFDTKYGALU-UHFFFAOYSA-N |
Product Overview
[3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate (CAS 84608-13-9), with molecular formula C35H33N3O11S and molecular weight 703.18 g/mol. IUPAC: [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate.
Chemical Property Profile of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
Property Insights of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate
The XLogP value of 5.4 indicates that [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate?
The CAS number of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate is 84608-13-9.
What is the molecular formula of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate?
The molecular formula of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate is C35H33N3O11S.
What is the molecular weight of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate?
The molecular weight of [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate is 703.18 g/mol.
Where can I buy [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate?
You can request a quote for [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-dibenzoyloxy-5-[6-(4-ethoxy-4-oxobutyl)sulfanyl-3,5-dioxo-1,2,4-triazin-2-yl]oxolan-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.