马兜铃酸
TL;DR: 马兜铃酸 (CAS 313-67-7) is a chemical compound with molecular formula C17H11NO7 and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马兜铃酸
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Also Known As: Aristolochic acid, Aristolochic acid A, Aristolochic acid I, Aristolochin, Tardolyt
| Molecular Formula | C17H11NO7 |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.05356 |
| Heavy Atoms | 25 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 313-67-7 |
|---|---|
| SMILES | COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O |
| InChIKey | BBFQZRXNYIEMAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
马兜铃酸 (CAS 313-67-7), with molecular formula C17H11NO7 and molecular weight 341.05 g/mol. IUPAC: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid.
Chemical Property Profile of 马兜铃酸
Property Insights of 马兜铃酸
The XLogP value of 3.6 indicates that 马兜铃酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 马兜铃酸. Following Lipinski's Rule of Five, 马兜铃酸 has 1 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?
The CAS number of 马兜铃酸 is 313-67-7.
What is the molecular formula of 马兜铃酸?
The molecular formula of 马兜铃酸 is C17H11NO7.
What is the molecular weight of 马兜铃酸?
The molecular weight of 马兜铃酸 is 341.05 g/mol.
Where can I buy 马兜铃酸?
You can request a quote for 马兜铃酸 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?
Yes, KEHONG BIO provides custom synthesis services for 马兜铃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.