(4-Acetyloxy-2,5-ditert-butylphenyl) acetate
TL;DR: (4-Acetyloxy-2,5-ditert-butylphenyl) acetate (CAS 900-02-7) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-2,5-ditert-butylphenyl) acetate
Also Known As: (4-acetyloxy-2,5-ditert-butylphenyl) acetate, 2,4-Diacetoxy-1,4-di-tert-butylbenzene, 2,5-Di-tert-butyl-1,4-phenylene diacetate, RefChem:208530
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 900-02-7 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1C(C)(C)C)OC(=O)C)C(C)(C)C |
| InChIKey | WLKNHGFKRADSDX-UHFFFAOYSA-N |
Product Overview
(4-Acetyloxy-2,5-ditert-butylphenyl) acetate (CAS 900-02-7), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: (4-acetyloxy-2,5-ditert-butylphenyl) acetate.
Chemical Property Profile of (4-Acetyloxy-2,5-ditert-butylphenyl) acetate
Property Insights of (4-Acetyloxy-2,5-ditert-butylphenyl) acetate
The XLogP value of 4.8 indicates that (4-Acetyloxy-2,5-ditert-butylphenyl) 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, (4-Acetyloxy-2,5-ditert-butylphenyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Acetyloxy-2,5-ditert-butylphenyl) 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 (4-Acetyloxy-2,5-ditert-butylphenyl) acetate?
The CAS number of (4-Acetyloxy-2,5-ditert-butylphenyl) acetate is 900-02-7.
What is the molecular formula of (4-Acetyloxy-2,5-ditert-butylphenyl) acetate?
The molecular formula of (4-Acetyloxy-2,5-ditert-butylphenyl) acetate is C18H26O4.
What is the molecular weight of (4-Acetyloxy-2,5-ditert-butylphenyl) acetate?
The molecular weight of (4-Acetyloxy-2,5-ditert-butylphenyl) acetate is 306.18 g/mol.
Where can I buy (4-Acetyloxy-2,5-ditert-butylphenyl) acetate?
You can request a quote for (4-Acetyloxy-2,5-ditert-butylphenyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetyloxy-2,5-ditert-butylphenyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetyloxy-2,5-ditert-butylphenyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.