2,5-Di-tert-butylbenzoquinone
TL;DR: 2,5-Di-tert-butylbenzoquinone (CAS 2460-77-7) 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.
2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-Di-tert-butyl-1,4-benzoquinone, 2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,5-Di-tert-butylquinone, 2,5-Di-tert-butylbenzoquinone, 2,5-Di-tert-butyl-p-benzoquinone
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.4 |
| 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 | 355.0 |
| Melting Point | 152.5 °C |
| Solubility | INSOL IN WATER; SOL IN ETHER, BENZENE, ACETIC ACID, HOT ALCOHOL |
Chemical Identifiers
| CAS Number | 2460-77-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C |
| InChIKey | ZZYASVWWDLJXIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Di-tert-butylbenzoquinone (CAS 2460-77-7), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Di-tert-butylbenzoquinone
Property Insights of 2,5-Di-tert-butylbenzoquinone
The XLogP value of 3.4 indicates that 2,5-Di-tert-butylbenzoquinone 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-Di-tert-butylbenzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Di-tert-butylbenzoquinone 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-Di-tert-butylbenzoquinone?
The CAS number of 2,5-Di-tert-butylbenzoquinone is 2460-77-7.
What is the molecular formula of 2,5-Di-tert-butylbenzoquinone?
The molecular formula of 2,5-Di-tert-butylbenzoquinone is C14H20O2.
What is the molecular weight of 2,5-Di-tert-butylbenzoquinone?
The molecular weight of 2,5-Di-tert-butylbenzoquinone is 220.15 g/mol.
Where can I buy 2,5-Di-tert-butylbenzoquinone?
You can request a quote for 2,5-Di-tert-butylbenzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Di-tert-butylbenzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Di-tert-butylbenzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.