Aristoloside
TL;DR: Aristoloside (CAS 89840-85-7) is a chemical compound with molecular formula C23H21NO13 and molecular weight 519.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Also Known As: Aristoloside, Aristolochin, 1,1-Dimethyltetradecyl hydrosulfide, aristolochic acid IVa-O-beta-D-glucoside, 8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
| Molecular Formula | C23H21NO13 |
|---|---|
| Molecular Weight | 519.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1013 |
| Heavy Atoms | 37 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 89840-85-7 |
|---|---|
| SMILES | COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | GMKHAVDYTAXBIY-BSTKLLGTSA-N |
Product Overview
Aristoloside (CAS 89840-85-7), with molecular formula C23H21NO13 and molecular weight 519.10 g/mol. IUPAC: 8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid.
Chemical Property Profile of Aristoloside
Property Insights of Aristoloside
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aristoloside. The TPSA of 210.0 Ų indicates high polarity, suggesting Aristoloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aristoloside has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aristoloside?
The CAS number of Aristoloside is 89840-85-7.
What is the molecular formula of Aristoloside?
The molecular formula of Aristoloside is C23H21NO13.
What is the molecular weight of Aristoloside?
The molecular weight of Aristoloside is 519.10 g/mol.
Where can I buy Aristoloside?
You can request a quote for Aristoloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristoloside?
Yes, KEHONG BIO provides custom synthesis services for Aristoloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.