2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione
TL;DR: 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione (CAS 4584-63-8) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-Di-tert-amylbenzoquinone, 2,5-Di-tert-amylquinone, 2,3-Diphenylindole, 2,5-Di-tert-pentylcyclohexa-2,5-diene-1,4-dione, 2,5-Di-tert-pentyl-1,4-benzoquinone
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 4584-63-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC |
| InChIKey | DHXFOYLEDAOQRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione (CAS 4584-63-8), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: 2,5-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione
Property Insights of 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione
The XLogP value of 4.5 indicates that 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione 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 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione is 4584-63-8.
What is the molecular formula of 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione is C16H24O2.
What is the molecular weight of 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione is 248.18 g/mol.
Where can I buy 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.