Tert-butylhydroquinone diacetate
TL;DR: Tert-butylhydroquinone diacetate (CAS 7507-48-4) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-3-tert-butylphenyl) acetate
Also Known As: TERT-BUTYLHYDROQUINONE DIACETATE, 2-tert-Butyl-1,4-phenylene diacetate, (4-acetyloxy-3-tert-butylphenyl) acetate, tert-butylhydroquinonediacetate, tert-Butyl hydroquinone diacetate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 7507-48-4 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)OC(=O)C)C(C)(C)C |
| InChIKey | SJRALGDWZXRRKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butylhydroquinone diacetate (CAS 7507-48-4), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: (4-acetyloxy-3-tert-butylphenyl) acetate.
Chemical Property Profile of Tert-butylhydroquinone diacetate
Property Insights of Tert-butylhydroquinone diacetate
The XLogP value of 3.1 indicates that Tert-butylhydroquinone diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Tert-butylhydroquinone diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butylhydroquinone diacetate 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 Tert-butylhydroquinone diacetate?
The CAS number of Tert-butylhydroquinone diacetate is 7507-48-4.
What is the molecular formula of Tert-butylhydroquinone diacetate?
The molecular formula of Tert-butylhydroquinone diacetate is C14H18O4.
What is the molecular weight of Tert-butylhydroquinone diacetate?
The molecular weight of Tert-butylhydroquinone diacetate is 250.12 g/mol.
Where can I buy Tert-butylhydroquinone diacetate?
You can request a quote for Tert-butylhydroquinone diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butylhydroquinone diacetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butylhydroquinone diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.