Aristolochic acid I methyl ester
TL;DR: Aristolochic acid I methyl ester (CAS 1169-60-4) is a chemical compound with molecular formula C18H13NO7 and molecular weight 355.0692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
Also Known As: Methyl aristolochate, Aristolochic acid I methyl ester, Aristolochic acid A methyl ester, Aristolochic acid, methyl ester, aristolochic acid-I, methyl ester
Technical Specifications
| Molecular Formula | C18H13NO7 |
| Molecular Weight | 355.0692 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0692 Da |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
| SMILES | COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)OC |
| InChIKey | RZUABJWVTLHGHJ-UHFFFAOYSA-N |
Chemical Property Profile of Aristolochic acid I methyl ester
Property Insights of Aristolochic acid I methyl ester
The XLogP value of 3.9 indicates that Aristolochic acid I methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Aristolochic acid I methyl ester. Following Lipinski's Rule of Five, Aristolochic acid I methyl ester 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
What is the CAS number of Aristolochic acid I methyl ester?
The CAS number of Aristolochic acid I methyl ester is 1169-60-4.
What is the molecular formula of Aristolochic acid I methyl ester?
The molecular formula of Aristolochic acid I methyl ester is C18H13NO7.
What is the molecular weight of Aristolochic acid I methyl ester?
The molecular weight of Aristolochic acid I methyl ester is 355.0692 g/mol.
Where can I buy Aristolochic acid I methyl ester?
You can request a quote for Aristolochic acid I methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aristolochic acid I methyl ester?
Yes, CoreyChem provides custom synthesis services for Aristolochic acid I methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.