RefChem:444158
TL;DR: RefChem:444158 (CAS 14106-38-8) is a chemical compound with molecular formula C45H60O3 and molecular weight 648.4542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one
Also Known As: 2,5-Cyclohexadien-1-one, 4,4',4''-(1,2,3-cyclopropanetriylidene)tris[2,6-bis(1,1-dimethylethyl)-, 4,4',4''-Cyclopropanetriylidenetris(2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one), 2,5-Cyclohexadien-1-one, 4,4',4''-(1,2,3-cyclopropanetriylidene)tris(2,6-bis(1,1-dimethylethyl)-, 4-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one, 4,4',4''-cyclopropane-1,2,3-triylidenetris(2,6-di-tert-butylcyclohexa-2,5-dien-1-one)
Technical Specifications
| Molecular Formula | C45H60O3 |
| Molecular Weight | 648.4542 g/mol |
| XLogP | 11.3 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 648.4542 Da |
| Heavy Atoms | 48 |
| Complexity | 1460.0 |
| SMILES | CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C4C=C(C(=O)C(=C4)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C |
| InChIKey | DRQQSZVENBAHIP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:444158
Property Insights of RefChem:444158
The XLogP value of 11.3 indicates that RefChem:444158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, RefChem:444158 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:444158 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:444158?
The CAS number of RefChem:444158 is 14106-38-8.
What is the molecular formula of RefChem:444158?
The molecular formula of RefChem:444158 is C45H60O3.
What is the molecular weight of RefChem:444158?
The molecular weight of RefChem:444158 is 648.4542 g/mol.
Where can I buy RefChem:444158?
You can request a quote for RefChem:444158 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:444158?
Yes, CoreyChem provides custom synthesis services for RefChem:444158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.