Hexaacetoxybenzene
TL;DR: Hexaacetoxybenzene (CAS 20129-65-1) is a chemical compound with molecular formula C18H18O12 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentaacetyloxyphenyl) acetate
Also Known As: Hexaacetoxybenzene, Benzenehexol hexaacetate, benzene-1,2,3,4,5,6-hexayl hexaacetate, (2,3,4,5,6-pentaacetyloxyphenyl) acetate, 2,3,4,5,6-Pentakis(acetyloxy)phenyl acetate
| Molecular Formula | C18H18O12 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.07983 |
| Heavy Atoms | 30 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 20129-65-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=C(C(=C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | MISGSTBLMADTBI-UHFFFAOYSA-N |
Product Overview
Hexaacetoxybenzene (CAS 20129-65-1), with molecular formula C18H18O12 and molecular weight 426.08 g/mol. IUPAC: (2,3,4,5,6-pentaacetyloxyphenyl) acetate.
Chemical Property Profile of Hexaacetoxybenzene
Property Insights of Hexaacetoxybenzene
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexaacetoxybenzene. The TPSA of 158.0 Ų indicates high polarity, suggesting Hexaacetoxybenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexaacetoxybenzene has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexaacetoxybenzene?
The CAS number of Hexaacetoxybenzene is 20129-65-1.
What is the molecular formula of Hexaacetoxybenzene?
The molecular formula of Hexaacetoxybenzene is C18H18O12.
What is the molecular weight of Hexaacetoxybenzene?
The molecular weight of Hexaacetoxybenzene is 426.08 g/mol.
Where can I buy Hexaacetoxybenzene?
You can request a quote for Hexaacetoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexaacetoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for Hexaacetoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.