3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-
TL;DR: 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- (CAS 27807-90-5) is a chemical compound with molecular formula C14H19BrO2 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4,6-ditert-butylcyclohexa-3,5-diene-1,2-dione
Also Known As: 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-, 3-bromo-4,6-di-tert-butylbenzo-1,2-quinone, o-Benzoquinone, 3-bromo-4,6-di-tert-butyl-, 3-Bromo-4,6-di-tert-butyl-o-benzoquinone, 3-bromo-4,6-ditert-butylcyclohexa-3,5-diene-1,2-dione
| Molecular Formula | C14H19BrO2 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.05685 |
| Heavy Atoms | 17 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 27807-90-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=O)C1=O)Br)C(C)(C)C |
| InChIKey | AFTGSAVHWOUYLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- (CAS 27807-90-5), with molecular formula C14H19BrO2 and molecular weight 298.06 g/mol. IUPAC: 3-bromo-4,6-ditert-butylcyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-
Property Insights of 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-
The XLogP value of 4.2 indicates that 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- 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-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- 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-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-?
The CAS number of 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- is 27807-90-5.
What is the molecular formula of 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-?
The molecular formula of 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- is C14H19BrO2.
What is the molecular weight of 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-?
The molecular weight of 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- is 298.06 g/mol.
Where can I buy 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-?
You can request a quote for 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Cyclohexadiene-1,2-dione, 3-bromo-4,6-bis(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.