Aristolodione
TL;DR: Aristolodione (CAS 1197-80-4) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
Also Known As: Aristolodione, Piperadione, 2-hydroxy-1-methoxy-6-methyl-4h-dibenzo[de,g]quinoline-4,5(6h)-dione, J2.990.445F, 4H-Dibenzo[de,g]quinoline-4,5(6H)-dione,2-hydroxy-1-methoxy-6-methyl-
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 1197-80-4 |
|---|---|
| SMILES | CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C(=O)C1=O |
| InChIKey | JGDZUWXHWYXMSD-UHFFFAOYSA-N |
Product Overview
Aristolodione (CAS 1197-80-4), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: 15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione.
Chemical Property Profile of Aristolodione
Property Insights of Aristolodione
The XLogP value of 3.0 indicates that Aristolodione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Aristolodione. Following Lipinski's Rule of Five, Aristolodione has 1 hydrogen bond donor(s) and 4 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 Aristolodione?
The CAS number of Aristolodione is 1197-80-4.
What is the molecular formula of Aristolodione?
The molecular formula of Aristolodione is C18H13NO4.
What is the molecular weight of Aristolodione?
The molecular weight of Aristolodione is 307.08 g/mol.
Where can I buy Aristolodione?
You can request a quote for Aristolodione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristolodione?
Yes, KEHONG BIO provides custom synthesis services for Aristolodione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.