Aristolochic acid IA
TL;DR: Aristolochic acid IA (CAS 4849-90-5) 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.
8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Also Known As: Aristolochic acid Ia, aristolochic acid III, Aristolochic acid C, starbld0023278, 8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
| 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 | 4849-90-5 |
|---|---|
| SMILES | C1OC2=C(O1)C3=C4C=CC=C(C4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O |
| InChIKey | LGZIKBZSCRORQN-UHFFFAOYSA-N |
Product Overview
Aristolochic acid IA (CAS 4849-90-5), with molecular formula C16H9NO7 and molecular weight 327.04 g/mol. IUPAC: 8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid.
Chemical Property Profile of Aristolochic acid IA
Property Insights of Aristolochic acid IA
The XLogP value of 3.2 indicates that Aristolochic acid IA 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 IA. Following Lipinski's Rule of Five, Aristolochic acid IA 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 IA?
The CAS number of Aristolochic acid IA is 4849-90-5.
What is the molecular formula of Aristolochic acid IA?
The molecular formula of Aristolochic acid IA is C16H9NO7.
What is the molecular weight of Aristolochic acid IA?
The molecular weight of Aristolochic acid IA is 327.04 g/mol.
Where can I buy Aristolochic acid IA?
You can request a quote for Aristolochic acid IA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristolochic acid IA?
Yes, KEHONG BIO provides custom synthesis services for Aristolochic acid IA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.