5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid
TL;DR: 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid (CAS 34817-14-6) is a chemical compound with molecular formula C14H7ClO5S and molecular weight 321.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-9,10-dioxoanthracene-1-sulfonic acid
Also Known As: 5-chloro-9,10-dioxoanthracene-1-sulfonic acid, 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid
| Molecular Formula | C14H7ClO5S |
|---|---|
| Molecular Weight | 321.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.97028 |
| Heavy Atoms | 21 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 34817-14-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)Cl |
| InChIKey | BJZJPUSHTCPALE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid (CAS 34817-14-6), with molecular formula C14H7ClO5S and molecular weight 321.97 g/mol. IUPAC: 5-chloro-9,10-dioxoanthracene-1-sulfonic acid.
Chemical Property Profile of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid
Property Insights of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid. Following Lipinski's Rule of Five, 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-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
Frequently Asked Questions
What is the CAS number of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid?
The CAS number of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid is 34817-14-6.
What is the molecular formula of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid?
The molecular formula of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid is C14H7ClO5S.
What is the molecular weight of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid?
The molecular weight of 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid is 321.97 g/mol.
Where can I buy 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid?
You can request a quote for 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.