![[3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate structure](/static/products/4091/40919-31-1.webp)
[3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate
TL;DR: [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate (CAS 40919-31-1) is a chemical compound with molecular formula C29H23N3O9 and molecular weight 557.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate
Also Known As: [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate|1-Oxo-4-(2,3,5-tri-O-benzoylpentofuranosyl)-1lambda~5~,2,4-triazin-3(4H)-one
| Molecular Formula | C29H23N3O9 |
|---|---|
| Molecular Weight | 557.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 557.14343 |
| Heavy Atoms | 41 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 40919-31-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C[N+](=NC3=O)[O-])OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | QKHVECNFTGXDFP-UHFFFAOYSA-N |
Product Overview
[3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate (CAS 40919-31-1), with molecular formula C29H23N3O9 and molecular weight 557.14 g/mol. IUPAC: [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate
Property Insights of [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate
The XLogP value of 3.6 indicates that [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-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-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate has 0 hydrogen bond donor(s) and 9 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-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate?
The CAS number of [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate is 40919-31-1.
What is the molecular formula of [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate?
The molecular formula of [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate is C29H23N3O9.
What is the molecular weight of [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate?
The molecular weight of [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate is 557.14 g/mol.
Where can I buy [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate?
You can request a quote for [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-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-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.