3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid
TL;DR: 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid (CAS 69658-04-4) is a chemical compound with molecular formula C17H9BrO4S and molecular weight 387.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-7-oxobenzo[a]phenalene-9-sulfonic acid
Also Known As: 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid, 7H-Benz(de)anthracene-9-sulfonic acid, 3-bromo-7-oxo-, 3-bromo-7-oxobenzo[a]phenalene-9-sulfonic acid, 3-bromo-7-oxo-7H-benzo[de]anthracene-9-sulfonic acid, 7H-Benz[de]anthracene-9-sulfonicacid, 3-bromo-7-oxo-
| Molecular Formula | C17H9BrO4S |
|---|---|
| Molecular Weight | 387.94 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.9405 |
| Heavy Atoms | 23 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 69658-04-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)S(=O)(=O)O)Br |
| InChIKey | XGMZBTAQNKARDY-UHFFFAOYSA-N |
Product Overview
3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid (CAS 69658-04-4), with molecular formula C17H9BrO4S and molecular weight 387.94 g/mol. IUPAC: 3-bromo-7-oxobenzo[a]phenalene-9-sulfonic acid.
Chemical Property Profile of 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid
Property Insights of 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid
The XLogP value of 3.7 indicates that 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid. Following Lipinski's Rule of Five, 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid has 1 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 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid?
The CAS number of 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid is 69658-04-4.
What is the molecular formula of 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid?
The molecular formula of 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid is C17H9BrO4S.
What is the molecular weight of 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid?
The molecular weight of 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid is 387.94 g/mol.
Where can I buy 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid?
You can request a quote for 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-7-oxo-7H-benz(de)anthracene-9-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.