2,7-Di-tert-butyl-9,9-dimethylxanthene
TL;DR: 2,7-Di-tert-butyl-9,9-dimethylxanthene (CAS 130525-41-6) is a chemical compound with molecular formula C23H30O and molecular weight 322.22968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-ditert-butyl-9,9-dimethylxanthene
Also Known As: 2,7-Di-tert-butyl-9,9-dimethylxanthene, 2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene, 2,7-ditert-butyl-9,9-dimethylxanthene, 5-(sec-pentyl)barbituricacid, 9H-Xanthene, 2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-
Technical Specifications
| Molecular Formula | C23H30O |
| Molecular Weight | 322.22968 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.22968 Da |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
| SMILES | CC1(C2=C(C=CC(=C2)C(C)(C)C)OC3=C1C=C(C=C3)C(C)(C)C)C |
| InChIKey | COCYABCDIOEUAC-UHFFFAOYSA-N |
Chemical Property Profile of 2,7-Di-tert-butyl-9,9-dimethylxanthene
Property Insights of 2,7-Di-tert-butyl-9,9-dimethylxanthene
The XLogP value of 7.7 indicates that 2,7-Di-tert-butyl-9,9-dimethylxanthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,7-Di-tert-butyl-9,9-dimethylxanthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Di-tert-butyl-9,9-dimethylxanthene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,7-Di-tert-butyl-9,9-dimethylxanthene?
The CAS number of 2,7-Di-tert-butyl-9,9-dimethylxanthene is 130525-41-6.
What is the molecular formula of 2,7-Di-tert-butyl-9,9-dimethylxanthene?
The molecular formula of 2,7-Di-tert-butyl-9,9-dimethylxanthene is C23H30O.
What is the molecular weight of 2,7-Di-tert-butyl-9,9-dimethylxanthene?
The molecular weight of 2,7-Di-tert-butyl-9,9-dimethylxanthene is 322.22968 g/mol.
Where can I buy 2,7-Di-tert-butyl-9,9-dimethylxanthene?
You can request a quote for 2,7-Di-tert-butyl-9,9-dimethylxanthene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7-Di-tert-butyl-9,9-dimethylxanthene?
Yes, CoreyChem provides custom synthesis services for 2,7-Di-tert-butyl-9,9-dimethylxanthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.