Methyl Aristolate
TL;DR: Methyl Aristolate (CAS 39835-14-8) is a chemical compound with molecular formula C18H14O5 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
Also Known As: Methyl aristolate, Aristolic acid methyl ester, Aristolic acid methyl, METHYLARISTOLOCHATE, methyl 8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
| Molecular Formula | C18H14O5 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.08414 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 39835-14-8 |
|---|---|
| SMILES | COC1=CC=CC2=C1C=CC3=C2C4=C(C=C3C(=O)OC)OCO4 |
| InChIKey | LBBQPQFZUZOHTO-UHFFFAOYSA-N |
Product Overview
Methyl Aristolate (CAS 39835-14-8), with molecular formula C18H14O5 and molecular weight 310.08 g/mol. IUPAC: methyl 8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylate.
Chemical Property Profile of Methyl Aristolate
Property Insights of Methyl Aristolate
The XLogP value of 4.1 indicates that Methyl Aristolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl Aristolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Aristolate has 0 hydrogen bond donor(s) and 5 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 Methyl Aristolate?
The CAS number of Methyl Aristolate is 39835-14-8.
What is the molecular formula of Methyl Aristolate?
The molecular formula of Methyl Aristolate is C18H14O5.
What is the molecular weight of Methyl Aristolate?
The molecular weight of Methyl Aristolate is 310.08 g/mol.
Where can I buy Methyl Aristolate?
You can request a quote for Methyl Aristolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Aristolate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Aristolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.