2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
TL;DR: 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione (CAS 105961-85-1) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-ditert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione, 3,6-ditert-butyl-4,5-dihydroxybenzo-1,2-quinone, 2,5-dihydroxy-3,6-di-t-butyl-p-benzoquinone, J2.455.801K, AN-212/12294054
Technical Specifications
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.13615 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.13615 Da |
| Heavy Atoms | 18 |
| Complexity | 433.0 |
| SMILES | CC(C)(C)C1=C(C(=O)C(=C(C1=O)O)C(C)(C)C)O |
| InChIKey | ITDLBGKPPOHWBZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
Property Insights of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 3.1 indicates that 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione is 105961-85-1.
What is the molecular formula of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione is C14H20O4.
What is the molecular weight of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione is 252.13615 g/mol.
Where can I buy 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2,5-Di-tert-butyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.