马兜铃酸I甲酯
TL;DR: 马兜铃酸I甲酯 (CAS 1169-60-4) is a chemical compound with molecular formula C18H13NO7 and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马兜铃酸I甲酯
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
| Molecular Formula | C18H13NO7 |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0692 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 1169-60-4 |
|---|---|
| SMILES | COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)OC |
| InChIKey | RZUABJWVTLHGHJ-UHFFFAOYSA-N |
Product Overview
马兜铃酸I甲酯 (CAS 1169-60-4), with molecular formula C18H13NO7 and molecular weight 355.07 g/mol. IUPAC: methyl 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate.
Chemical Property Profile of 马兜铃酸I甲酯
Property Insights of 马兜铃酸I甲酯
The XLogP value of 3.9 indicates that 马兜铃酸I甲酯 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 马兜铃酸I甲酯. Following Lipinski's Rule of Five, 马兜铃酸I甲酯 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
Frequently Asked Questions
What is the CAS number of 马兜铃酸I甲酯?
The CAS number of 马兜铃酸I甲酯 is 1169-60-4.
What is the molecular formula of 马兜铃酸I甲酯?
The molecular formula of 马兜铃酸I甲酯 is C18H13NO7.
What is the molecular weight of 马兜铃酸I甲酯?
The molecular weight of 马兜铃酸I甲酯 is 355.07 g/mol.
Where can I buy 马兜铃酸I甲酯?
You can request a quote for 马兜铃酸I甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马兜铃酸I甲酯?
Yes, KEHONG BIO provides custom synthesis services for 马兜铃酸I甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.