Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate
TL;DR: Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate (CAS 68380-39-2) is a chemical compound with molecular formula C22H22O9 and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-3-(2,3-diacetyloxy-5-methylphenoxy)-5-methylphenyl] acetate
Also Known As: Violaceol I tetraacetate, violaceol-I acetate, Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate, 1,2-Benzenediol, 3,3'-oxybis(5-methyl-, tetraacetate, [2-acetyloxy-3-(2,3-diacetyloxy-5-methylphenoxy)-5-methylphenyl] acetate
| Molecular Formula | C22H22O9 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 3.79694 |
| Topological Polar Surface Area | 114.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.12637 |
| Heavy Atoms | 31 |
| Complexity | 969.9325 |
Chemical Identifiers
| CAS Number | 68380-39-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC2=C(C(=CC(=C2)C)OC(=O)C)OC(=O)C |
Product Overview
Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate (CAS 68380-39-2), with molecular formula C22H22O9 and molecular weight 430.13 g/mol. IUPAC: [2-acetyloxy-3-(2,3-diacetyloxy-5-methylphenoxy)-5-methylphenyl] acetate.
Chemical Property Profile of Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate
Property Insights of Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate
The XLogP value of 3.79694 indicates that Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate. Following Lipinski's Rule of Five, Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate has 0 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 Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate?
The CAS number of Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate is 68380-39-2.
What is the molecular formula of Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate?
The molecular formula of Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate is C22H22O9.
What is the molecular weight of Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate?
The molecular weight of Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate is 430.13 g/mol.
Where can I buy Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate?
You can request a quote for Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for Oxybis(5-methylbenzene-3,1,2-triyl) tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.