![[3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate structure](/static/products/7224/7224-70-6.webp)
[3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate
TL;DR: [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate (CAS 7224-70-6) is a chemical compound with molecular formula C21H27NO12 and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate
Also Known As: 3-(2-hydroxy-4-methyl-pentyl)-4-methoxy-1H-quinolin-2-one, [2-cyano-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-but-2-enyl] Acetate, [3,4,5-triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate, 2-Cyano-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]but-2-en-1-yl acetate
| Molecular Formula | C21H27NO12 |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 0.09918 |
| Topological Polar Surface Area | 173.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.15332 |
| Heavy Atoms | 34 |
| Complexity | 845.1821 |
Chemical Identifiers
| CAS Number | 7224-70-6 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OCC=C(COC(=O)C)C#N)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate (CAS 7224-70-6), with molecular formula C21H27NO12 and molecular weight 485.15 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate
Property Insights of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate
The XLogP value of 0.09918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate. The TPSA of 173.75 Ų indicates high polarity, suggesting [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)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-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate has 0 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 [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate is 7224-70-6.
What is the molecular formula of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate is C21H27NO12.
What is the molecular weight of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate is 485.15 g/mol.
Where can I buy [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)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-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-Triacetyloxy-6-(4-acetyloxy-3-cyanobut-2-enoxy)oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.