![[3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate structure](/static/products/7771/7771-05-3.webp)
[3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate
TL;DR: [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate (CAS 7771-05-3) is a chemical compound with molecular formula C14H18BrFN2O8 and molecular weight 440.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate
Also Known As: [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate|5-Bromo-1-(3,5-di-O-acetyl-2-deoxypentofuranosyl)-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
| Molecular Formula | C14H18BrFN2O8 |
|---|---|
| Molecular Weight | 440.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.02307 |
| Heavy Atoms | 26 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 7771-05-3 |
|---|---|
| SMILES | CC(=O)OCC1C(CC(O1)N2C(C(C(=O)NC2=O)(F)Br)OC)OC(=O)C |
| InChIKey | XGWIIXCFLJKFNL-UHFFFAOYSA-N |
Product Overview
[3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate (CAS 7771-05-3), with molecular formula C14H18BrFN2O8 and molecular weight 440.02 g/mol. IUPAC: [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate
Property Insights of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate. Following Lipinski's Rule of Five, [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate?
The CAS number of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate is 7771-05-3.
What is the molecular formula of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate?
The molecular formula of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate is C14H18BrFN2O8.
What is the molecular weight of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate?
The molecular weight of [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate is 440.02 g/mol.
Where can I buy [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate?
You can request a quote for [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-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-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-acetyloxy-5-(5-bromo-5-fluoro-6-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.