3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
TL;DR: 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione (CAS 5175-72-4) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-ditert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
Also Known As: 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione, 3,6-di-t-butyl-4,5-dimethoxy-o-benzoquinone, 3,6-ditert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione, J1.818.917H, 3,6-di-tert-butyl-4,5-dimethoxybenzo-1,2-quinone
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 3.0314 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 459.5754 |
Chemical Identifiers
| CAS Number | 5175-72-4 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=C(C(=O)C1=O)C(C)(C)C)OC)OC |
Product Overview
3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione (CAS 5175-72-4), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: 3,6-ditert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
Property Insights of 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
The XLogP value of 3.0314 indicates that 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione has 0 hydrogen bond donor(s) and 4 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 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione?
The CAS number of 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione is 5175-72-4.
What is the molecular formula of 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione?
The molecular formula of 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione is C16H24O4.
What is the molecular weight of 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione?
The molecular weight of 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione is 280.17 g/mol.
Where can I buy 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione?
You can request a quote for 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.