Aristolochic Acid C
TL;DR: Aristolochic Acid C (CAS 5444-29-1) is a chemical compound with molecular formula C16H9NO7 and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Also Known As: Aristolochic acid C, Aristolochic Acid IIIa, Aristolochiac acid C, Fabesetron, ARISTOLOCHICACIDC
| Molecular Formula | C16H9NO7 |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.0379 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 5444-29-1 |
|---|---|
| SMILES | C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O |
| InChIKey | NBFGYDJKTHENDP-UHFFFAOYSA-N |
Product Overview
Aristolochic Acid C (CAS 5444-29-1), with molecular formula C16H9NO7 and molecular weight 327.04 g/mol. IUPAC: 10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid.
Chemical Property Profile of Aristolochic Acid C
Property Insights of Aristolochic Acid C
The XLogP value of 3.2 indicates that Aristolochic Acid C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aristolochic Acid C. Following Lipinski's Rule of Five, Aristolochic Acid C has 2 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 Aristolochic Acid C?
The CAS number of Aristolochic Acid C is 5444-29-1.
What is the molecular formula of Aristolochic Acid C?
The molecular formula of Aristolochic Acid C is C16H9NO7.
What is the molecular weight of Aristolochic Acid C?
The molecular weight of Aristolochic Acid C is 327.04 g/mol.
Where can I buy Aristolochic Acid C?
You can request a quote for Aristolochic Acid C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristolochic Acid C?
Yes, KEHONG BIO provides custom synthesis services for Aristolochic Acid C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.