3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone
TL;DR: 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone (CAS 2417-00-7) is a chemical compound with molecular formula C22H28O2 and molecular weight 324.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methylcyclohexa-2,5-dien-1-one
Also Known As: 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone, (4E)-2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methylcyclohexa-2,5-dien-1-one, 3,3'-di-tert-butyl-5,5'-dimethyl-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione, (4E)-2-methyl-4-(3-methyl-4-oxo-5-tert-butyl-1-cyclohexa-2,5-dienylidene)-6-tert-butyl-cyclohexa-2,5-dien-1-one, (4E)-2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-6-methyl-1-cyclohexa-2,5-dienone
| Molecular Formula | C22H28O2 |
|---|---|
| Molecular Weight | 324.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.20892 |
| Heavy Atoms | 24 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 2417-00-7 |
|---|---|
| SMILES | CC1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C)C=C(C1=O)C(C)(C)C |
| InChIKey | UTSXCYFVGSFPGR-UHFFFAOYSA-N |
Product Overview
3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone (CAS 2417-00-7), with molecular formula C22H28O2 and molecular weight 324.21 g/mol. IUPAC: 2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone
Property Insights of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone
The XLogP value of 5.3 indicates that 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone?
The CAS number of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone is 2417-00-7.
What is the molecular formula of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone?
The molecular formula of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone is C22H28O2.
What is the molecular weight of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone?
The molecular weight of 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone is 324.21 g/mol.
Where can I buy 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone?
You can request a quote for 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.