9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid
TL;DR: 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid (CAS 129-37-3) is a chemical compound with molecular formula C14H7NO7S and molecular weight 332.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitro-9,10-dioxoanthracene-1-sulfonic acid
Also Known As: 1-Nitro-8-sulfoanthraquinone, 8-Nitro-1-anthraquinonesulfonic acid, 2-(2-Chlorophenyl)ethanamine, 2-(2-chloro-phenyl)-ethylamine, 8-nitro-9,10-dioxoanthracene-1-sulfonic acid
| Molecular Formula | C14H7NO7S |
|---|---|
| Molecular Weight | 332.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.99432 |
| Heavy Atoms | 23 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 129-37-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)O |
| InChIKey | VGIVZECXTZAEHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid (CAS 129-37-3), with molecular formula C14H7NO7S and molecular weight 332.99 g/mol. IUPAC: 8-nitro-9,10-dioxoanthracene-1-sulfonic acid.
Chemical Property Profile of 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid
Property Insights of 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid. The TPSA of 143.0 Ų indicates high polarity, suggesting 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid has 1 hydrogen bond donor(s) and 7 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-8-nitro-9,10-dioxoanthracene-1-sulphonic acid?
The CAS number of 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid is 129-37-3.
What is the molecular formula of 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid?
The molecular formula of 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid is C14H7NO7S.
What is the molecular weight of 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid?
The molecular weight of 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid is 332.99 g/mol.
Where can I buy 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid?
You can request a quote for 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic 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-8-nitro-9,10-dioxoanthracene-1-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.