2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate
TL;DR: 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate (CAS 4857-75-4) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-diacetyloxy-2-tert-butylphenyl) acetate
Also Known As: 1-tert-butyl-2,4,5-triacetoxybenzene, (4,5-diacetyloxy-2-tert-butylphenyl) acetate, (2,5-diacetyloxy-4-tert-butyl-phenyl) Acetate, 2,4-bis(acetyloxy)-5-tert-butylphenyl acetate
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.76 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.12598 |
| Heavy Atoms | 22 |
| Complexity | 609.7974 |
Chemical Identifiers
| CAS Number | 4857-75-4 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1C(C)(C)C)OC(=O)C)OC(=O)C |
Product Overview
2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate (CAS 4857-75-4), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: (4,5-diacetyloxy-2-tert-butylphenyl) acetate.
Chemical Property Profile of 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate
Property Insights of 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate
The XLogP value of 2.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate. Following Lipinski's Rule of Five, 2,4-Bis(acetyloxy)-5-tert-butylphenyl 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 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate?
The CAS number of 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate is 4857-75-4.
What is the molecular formula of 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate?
The molecular formula of 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate is C16H20O6.
What is the molecular weight of 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate?
The molecular weight of 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate is 308.13 g/mol.
Where can I buy 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate?
You can request a quote for 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(acetyloxy)-5-tert-butylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.