马兜铃酸-D
TL;DR: 马兜铃酸-D (CAS 20846-45-1) is a chemical compound with molecular formula C17H11NO8 and molecular weight 357.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马兜铃酸-D
10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Also Known As: Aristolochic acid d, Aristolochic acid Iva, Aristolochic acid-D, aristolochic D, Aristolochicacidd
| Molecular Formula | C17H11NO8 |
|---|---|
| Molecular Weight | 357.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.04846 |
| Heavy Atoms | 26 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 20846-45-1 |
|---|---|
| SMILES | COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O |
| InChIKey | PADIFGYTAXNCRK-UHFFFAOYSA-N |
Product Overview
马兜铃酸-D (CAS 20846-45-1), with molecular formula C17H11NO8 and molecular weight 357.05 g/mol. IUPAC: 10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid.
Chemical Property Profile of 马兜铃酸-D
Property Insights of 马兜铃酸-D
The XLogP value of 3.2 indicates that 马兜铃酸-D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 马兜铃酸-D. Following Lipinski's Rule of Five, 马兜铃酸-D has 2 hydrogen bond donor(s) and 8 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-D?
The CAS number of 马兜铃酸-D is 20846-45-1.
What is the molecular formula of 马兜铃酸-D?
The molecular formula of 马兜铃酸-D is C17H11NO8.
What is the molecular weight of 马兜铃酸-D?
The molecular weight of 马兜铃酸-D is 357.05 g/mol.
Where can I buy 马兜铃酸-D?
You can request a quote for 马兜铃酸-D 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-D?
Yes, KEHONG BIO provides custom synthesis services for 马兜铃酸-D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.