![2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate structure](/static/products/1094/109478-36-6.webp)
2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate
TL;DR: 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate (CAS 109478-36-6) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-3-(acetyloxymethyl)-5-methylphenyl]methyl acetate
Also Known As: 2,6-bis(acetyloxymethyl)-4-methylphenyl acetate, 2-(acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate, [2-acetyloxy-3-(acetyloxymethyl)-5-methylphenyl]methyl acetate, [2-(acetyloxy)-3-[(acetyloxy)methyl]-5-methylphenyl]methyl acetate
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 2.04652 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 522.2774 |
Chemical Identifiers
| CAS Number | 109478-36-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)COC(=O)C)OC(=O)C)COC(=O)C |
Product Overview
2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate (CAS 109478-36-6), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: [2-acetyloxy-3-(acetyloxymethyl)-5-methylphenyl]methyl acetate.
Chemical Property Profile of 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate
Property Insights of 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate
The XLogP value of 2.04652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate. Following Lipinski's Rule of Five, 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl 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)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate?
The CAS number of 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate is 109478-36-6.
What is the molecular formula of 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate?
The molecular formula of 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate is C15H18O6.
What is the molecular weight of 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate?
The molecular weight of 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate is 294.11 g/mol.
Where can I buy 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate?
You can request a quote for 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl 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)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-3-[(acetyloxy)methyl]-5-methylbenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.