2,7-DI-Tert-butyl-1,4-naphthoquinone
TL;DR: 2,7-DI-Tert-butyl-1,4-naphthoquinone (CAS 10239-91-5) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-ditert-butylnaphthalene-1,4-dione
Also Known As: 2,7-di-tert-butyl-1,4-naphthoquinone, 2,7-ditert-butylnaphthalene-1,4-dione, 2,7-Di-tert-butyl-[1,4]naphthoquinone, BAS 00416227, 2,7-di-tert-butyl-1,4-dihydronaphthalene-1,4-dione
Technical Specifications
| Molecular Formula | C18H22O2 |
| Molecular Weight | 270.162 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.162 Da |
| Heavy Atoms | 20 |
| Complexity | 457.0 |
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=O)C=C(C2=O)C(C)(C)C |
| InChIKey | SCNIHHSZHHPWDN-UHFFFAOYSA-N |
Chemical Property Profile of 2,7-DI-Tert-butyl-1,4-naphthoquinone
Property Insights of 2,7-DI-Tert-butyl-1,4-naphthoquinone
The XLogP value of 4.8 indicates that 2,7-DI-Tert-butyl-1,4-naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2,7-DI-Tert-butyl-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-DI-Tert-butyl-1,4-naphthoquinone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,7-DI-Tert-butyl-1,4-naphthoquinone?
The CAS number of 2,7-DI-Tert-butyl-1,4-naphthoquinone is 10239-91-5.
What is the molecular formula of 2,7-DI-Tert-butyl-1,4-naphthoquinone?
The molecular formula of 2,7-DI-Tert-butyl-1,4-naphthoquinone is C18H22O2.
What is the molecular weight of 2,7-DI-Tert-butyl-1,4-naphthoquinone?
The molecular weight of 2,7-DI-Tert-butyl-1,4-naphthoquinone is 270.162 g/mol.
Where can I buy 2,7-DI-Tert-butyl-1,4-naphthoquinone?
You can request a quote for 2,7-DI-Tert-butyl-1,4-naphthoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7-DI-Tert-butyl-1,4-naphthoquinone?
Yes, CoreyChem provides custom synthesis services for 2,7-DI-Tert-butyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.