![[3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate structure](/static/products/7494/7494-81-7.webp)
[3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate (CAS 7494-81-7) is a chemical compound with molecular formula C25H28N4O11 and molecular weight 560.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate|4-(4-Aminobenzamido)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)pyrimidin-2(1H)-one
| Molecular Formula | C25H28N4O11 |
|---|---|
| Molecular Weight | 560.18 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 560.1755 |
| Heavy Atoms | 40 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 7494-81-7 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)N)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | AKFQJTNAGJWXKT-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate (CAS 7494-81-7), with molecular formula C25H28N4O11 and molecular weight 560.18 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate. The TPSA of 202.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate has 2 hydrogen bond donor(s) and 12 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-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate is 7494-81-7.
What is the molecular formula of [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate is C25H28N4O11.
What is the molecular weight of [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate is 560.18 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate 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-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.