2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone
TL;DR: 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone (CAS 19909-70-7) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-tetramethyloctane-3,4,5,6-tetrone
Also Known As: 2,2,7,7-tetramethyloctane-3,4,5,6-tetrone, 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone, (CH3)3C[C(O)]4C(CH3)3, 2,2,7,7-tetramethyl-octane-3,4,5,6-tetraone, 3,4,5,6-Octanetetrone,2,2,7,7-tetramethyl-
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 19909-70-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=O)C(=O)C(=O)C(C)(C)C |
| InChIKey | VZPFAZLOXSSWIR-UHFFFAOYSA-N |
Product Overview
2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone (CAS 19909-70-7), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 2,2,7,7-tetramethyloctane-3,4,5,6-tetrone.
Chemical Property Profile of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone
Property Insights of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone. Following Lipinski's Rule of Five, 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone?
The CAS number of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone is 19909-70-7.
What is the molecular formula of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone?
The molecular formula of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone is C12H18O4.
What is the molecular weight of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone?
The molecular weight of 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone is 226.12 g/mol.
Where can I buy 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone?
You can request a quote for 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-Tetramethyl-octa-3,4,5,6-tetraone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.