![[3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate structure](/static/products/4752/4752-98-1.webp)
[3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate
TL;DR: [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate (CAS 4752-98-1) is a chemical compound with molecular formula C20H23Cl3N2O11 and molecular weight 572.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate
Also Known As: [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate|4-Ethoxy-1-[2,3,4-tri-O-acetyl-6-O-(trichloroacetyl)hexopyranosyl]pyrimidin-2(1H)-one
| Molecular Formula | C20H23Cl3N2O11 |
|---|---|
| Molecular Weight | 572.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 572.03674 |
| Heavy Atoms | 36 |
| Complexity | 950.0 |
Chemical Identifiers
| CAS Number | 4752-98-1 |
|---|---|
| SMILES | CCOC1=NC(=O)N(C=C1)C2C(C(C(C(O2)COC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | COGHLCVBHNKOOK-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate (CAS 4752-98-1), with molecular formula C20H23Cl3N2O11 and molecular weight 572.04 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate
Property Insights of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate. The TPSA of 156.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate?
The CAS number of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate is 4752-98-1.
What is the molecular formula of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate?
The molecular formula of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate is C20H23Cl3N2O11.
What is the molecular weight of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate?
The molecular weight of [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate is 572.04 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate?
You can request a quote for [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.