![9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- structure](/static/products/967/96701-06-3.png)
9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-
TL;DR: 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- (CAS 96701-06-3) is a chemical compound with molecular formula C28H20O8S2 and molecular weight 548.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methylphenyl)sulfonyloxy-9,10-dioxoanthracen-1-yl] 4-methylbenzenesulfonate
Also Known As: 1,4-ditosyloxyanthraquinone, 1,4-bis(tosyloxy)anthraquinone, NCI60_025979, 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-, 9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl bis(4-methylbenzenesulfonate)
| Molecular Formula | C28H20O8S2 |
|---|---|
| Molecular Weight | 548.06 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.05994 |
| Heavy Atoms | 38 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 96701-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5C3=O |
| InChIKey | LDTTXRCXIMXYEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- (CAS 96701-06-3), with molecular formula C28H20O8S2 and molecular weight 548.06 g/mol. IUPAC: [4-(4-methylphenyl)sulfonyloxy-9,10-dioxoanthracen-1-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-
Property Insights of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-
The XLogP value of 5.8 indicates that 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-?
The CAS number of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- is 96701-06-3.
What is the molecular formula of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-?
The molecular formula of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- is C28H20O8S2.
What is the molecular weight of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-?
The molecular weight of 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- is 548.06 g/mol.
Where can I buy 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-?
You can request a quote for 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1,4-bis[[(4-methylphenyl)sulfonyl]oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.