Sodium aristolochate
TL;DR: Sodium aristolochate (CAS 52232-70-9) is a chemical compound with molecular formula C17H10NNaO7 and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
Also Known As: Sodium aristolochate, Sodium aristolate 1, Sodium aristolochate-I, Aristolochic acid sodium salt, Aristolochic Acid Sodium
| Molecular Formula | C17H10NNaO7 |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | -0.994 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.0355 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 52232-70-9 |
|---|---|
| SMILES | COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+] |
| InChIKey | BQVOPWJSBBMGBR-UHFFFAOYSA-M |
Product Overview
Sodium aristolochate (CAS 52232-70-9), with molecular formula C17H10NNaO7 and molecular weight 363.04 g/mol. IUPAC: sodium 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate.
Chemical Property Profile of Sodium aristolochate
Property Insights of Sodium aristolochate
The XLogP value of -0.994 indicates that Sodium aristolochate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium aristolochate. Following Lipinski's Rule of Five, Sodium aristolochate has 0 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 Sodium aristolochate?
The CAS number of Sodium aristolochate is 52232-70-9.
What is the molecular formula of Sodium aristolochate?
The molecular formula of Sodium aristolochate is C17H10NNaO7.
What is the molecular weight of Sodium aristolochate?
The molecular weight of Sodium aristolochate is 363.04 g/mol.
Where can I buy Sodium aristolochate?
You can request a quote for Sodium aristolochate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium aristolochate?
Yes, KEHONG BIO provides custom synthesis services for Sodium aristolochate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.