9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid
TL;DR: 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid (CAS 51789-38-9) is a chemical compound with molecular formula C14H8O5S and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dioxophenanthrene-3-sulfonic acid
Also Known As: 9,10-dioxophenanthrene-3-sulfonic Acid, 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid, 9,10-dioxo-9,10-dihydrophenanthrene-3-sulfonic acid
| Molecular Formula | C14H8O5S |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.00925 |
| Heavy Atoms | 20 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 51789-38-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC(=C3)S(=O)(=O)O)C(=O)C2=O |
| InChIKey | AVTLNKKGCFQZRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid (CAS 51789-38-9), with molecular formula C14H8O5S and molecular weight 288.01 g/mol. IUPAC: 9,10-dioxophenanthrene-3-sulfonic acid.
Chemical Property Profile of 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid
Property Insights of 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid. Following Lipinski's Rule of Five, 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic 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 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid?
The CAS number of 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid is 51789-38-9.
What is the molecular formula of 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid?
The molecular formula of 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid is C14H8O5S.
What is the molecular weight of 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid?
The molecular weight of 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid is 288.01 g/mol.
Where can I buy 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid?
You can request a quote for 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.