![2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate structure](/static/products/119/119117-34-9.png)
2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate
TL;DR: 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate (CAS 119117-34-9) is a chemical compound with molecular formula C11H20O6 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-4,4-dimethoxybutyl] acetate
Also Known As: 1,3-diacetoxy-2-(2',2'-dimethoxyethyl)propane, 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate, [2-(acetyloxymethyl)-4,4-dimethoxybutyl] acetate, 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate #, Acetate, 2-[(acetyloxy)methyl]-4,4-dimethoxybutyl ester
| Molecular Formula | C11H20O6 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.12599 |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 119117-34-9 |
|---|---|
| SMILES | CC(=O)OCC(CC(OC)OC)COC(=O)C |
| InChIKey | UWQABBFYBLZBJP-UHFFFAOYSA-N |
Product Overview
2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate (CAS 119117-34-9), with molecular formula C11H20O6 and molecular weight 248.13 g/mol. IUPAC: [2-(acetyloxymethyl)-4,4-dimethoxybutyl] acetate.
Chemical Property Profile of 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate
Property Insights of 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate. Following Lipinski's Rule of Five, 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate has 0 hydrogen bond donor(s) and 6 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 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate?
The CAS number of 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate is 119117-34-9.
What is the molecular formula of 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate?
The molecular formula of 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate is C11H20O6.
What is the molecular weight of 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate?
The molecular weight of 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate is 248.13 g/mol.
Where can I buy 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate?
You can request a quote for 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Acetyloxy)methyl]-4,4-dimethoxybutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.