2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman
TL;DR: 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman (CAS 165315-19-5) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,7,8-tetramethyl-3,4-dihydrochromene-5,6-dione
Also Known As: 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman, 2,2,7,8-tetramethylchroman-5,6-dione, 2H-1-Benzopyran-5,6-dione, 3,4-dihydro-2,2,7,8-tetramethyl-, 2,2,7,8-tetramethyl-3,4-dihydrochromene-5,6-dione, 2,2,7,8-Tetramethyl-3,4-dihydro-2H-1-benzopyran-5,6-dione
Technical Specifications
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.10994 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.10994 Da |
| Heavy Atoms | 16 |
| Complexity | 450.0 |
| SMILES | CC1=C(C(=O)C(=O)C2=C1OC(CC2)(C)C)C |
| InChIKey | DNGQPGPTMOFPFA-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman
Property Insights of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman. With a topological polar surface area (TPSA) of 43.4 Ų, 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman?
The CAS number of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman is 165315-19-5.
What is the molecular formula of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman?
The molecular formula of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman is C13H16O3.
What is the molecular weight of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman?
The molecular weight of 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman is 220.10994 g/mol.
Where can I buy 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman?
You can request a quote for 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman?
Yes, CoreyChem provides custom synthesis services for 2,2,7,8-Tetramethyl-5,6-ortho-quinonechroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.