3,5-Di-tert-butyl-1,2-benzoquinone
TL;DR: 3,5-Di-tert-butyl-1,2-benzoquinone (CAS 3383-21-9) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione
Also Known As: 3,5-Di-tert-butyl-o-benzoquinone, 3,5-Di-tert-butyl-1,2-benzoquinone, Benzil-related compound, 54, 3,5-di-t-Butyl-o-benzoquinone, 3,5-Ditert-butyl-quinone
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 3383-21-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C |
| InChIKey | NOUZOVBGCDDMSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Di-tert-butyl-1,2-benzoquinone (CAS 3383-21-9), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3,5-Di-tert-butyl-1,2-benzoquinone
Property Insights of 3,5-Di-tert-butyl-1,2-benzoquinone
The XLogP value of 3.3 indicates that 3,5-Di-tert-butyl-1,2-benzoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,5-Di-tert-butyl-1,2-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-1,2-benzoquinone has 0 hydrogen bond donor(s) and 2 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 3,5-Di-tert-butyl-1,2-benzoquinone?
The CAS number of 3,5-Di-tert-butyl-1,2-benzoquinone is 3383-21-9.
What is the molecular formula of 3,5-Di-tert-butyl-1,2-benzoquinone?
The molecular formula of 3,5-Di-tert-butyl-1,2-benzoquinone is C14H20O2.
What is the molecular weight of 3,5-Di-tert-butyl-1,2-benzoquinone?
The molecular weight of 3,5-Di-tert-butyl-1,2-benzoquinone is 220.15 g/mol.
Where can I buy 3,5-Di-tert-butyl-1,2-benzoquinone?
You can request a quote for 3,5-Di-tert-butyl-1,2-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-tert-butyl-1,2-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-1,2-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.