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2-[(Acetyloxy)methyl]-2-ethylhexyl acetate
TL;DR: 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate (CAS 2594-60-7) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-2-ethylhexyl] acetate
Also Known As: 3,3-bis-acetoxymethyl-heptane, 2-[(acetyloxy)methyl]-2-ethylhexyl acetate, [2-(acetyloxymethyl)-2-ethylhexyl] acetate, [2-(acetyloxymethyl)-2-ethyl-hexyl] acetate
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 2594-60-7 |
|---|---|
| SMILES | CCCCC(CC)(COC(=O)C)COC(=O)C |
| InChIKey | IMLLXJLPENSGTR-UHFFFAOYSA-N |
Product Overview
2-[(Acetyloxy)methyl]-2-ethylhexyl acetate (CAS 2594-60-7), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: [2-(acetyloxymethyl)-2-ethylhexyl] acetate.
Chemical Property Profile of 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate
Property Insights of 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate
The XLogP value of 3.0 indicates that 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate has 0 hydrogen bond donor(s) and 4 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]-2-ethylhexyl acetate?
The CAS number of 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate is 2594-60-7.
What is the molecular formula of 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate?
The molecular formula of 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate is C13H24O4.
What is the molecular weight of 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate?
The molecular weight of 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate is 244.17 g/mol.
Where can I buy 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate?
You can request a quote for 2-[(Acetyloxy)methyl]-2-ethylhexyl 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]-2-ethylhexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.