1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
TL;DR: 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (CAS 625817-96-1) is a chemical compound with molecular formula C14H7ClO5S and molecular weight 321.97028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-chloro-9,10-dioxoanthracene-2-sulfonic acid, 1-chloro-9,10-dioxo-anthracene-2-sulfonic Acid, 1-chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Technical Specifications
| Molecular Formula | C14H7ClO5S |
| Molecular Weight | 321.97028 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.97028 Da |
| Heavy Atoms | 21 |
| Complexity | 566.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)O)Cl |
| InChIKey | HDBFDCXVVJUUBM-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Property Insights of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. Following Lipinski's Rule of Five, 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
The CAS number of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is 625817-96-1.
What is the molecular formula of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
The molecular formula of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is C14H7ClO5S.
What is the molecular weight of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
The molecular weight of 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is 321.97028 g/mol.
Where can I buy 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
You can request a quote for 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.