2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone
TL;DR: 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone (CAS 22698-81-3) is a chemical compound with molecular formula C16H12O4S2 and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,7,8-tetramethylthianthrene-1,4,6,9-tetrone
Also Known As: 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone, 2,3,7,8-tetramethylthianthrene-1,4,6,9-tetrone, 6-BROMO-5-METHOXYPICOLINIC ACID, 2,3,7,8-Tetramethylthianthrene-1,4,6,9-tetraone, RefChem:244301
| Molecular Formula | C16H12O4S2 |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 2.22828 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.0177 |
| Heavy Atoms | 22 |
| Complexity | 1000.9167 |
Chemical Identifiers
| CAS Number | 22698-81-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)SC3=C(S2)C(=O)C(=C(C3=O)C)C)C |
Product Overview
2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone (CAS 22698-81-3), with molecular formula C16H12O4S2 and molecular weight 332.02 g/mol. IUPAC: 2,3,7,8-tetramethylthianthrene-1,4,6,9-tetrone.
Chemical Property Profile of 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone
Property Insights of 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone
The XLogP value of 2.22828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone. Following Lipinski's Rule of Five, 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone has 0 hydrogen bond donor(s) and 6 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 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone?
The CAS number of 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone is 22698-81-3.
What is the molecular formula of 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone?
The molecular formula of 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone is C16H12O4S2.
What is the molecular weight of 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone?
The molecular weight of 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone is 332.02 g/mol.
Where can I buy 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone?
You can request a quote for 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone?
Yes, KEHONG BIO provides custom synthesis services for 2,3,7,8-Tetramethyl-1,4,6,9-thianthrenetetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.