Fumaridine
TL;DR: Fumaridine (CAS 30341-98-1) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one
Also Known As: Fumaridine
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 30341-98-1 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2 |
| InChIKey | ZMAHFZSTFDAVRW-UHFFFAOYSA-N |
Product Overview
Fumaridine (CAS 30341-98-1), with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol. IUPAC: 3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one.
Chemical Property Profile of Fumaridine
Property Insights of Fumaridine
The XLogP value of 3.0 indicates that Fumaridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumaridine. Following Lipinski's Rule of Five, Fumaridine has 1 hydrogen bond donor(s) and 6 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 Fumaridine?
The CAS number of Fumaridine is 30341-98-1.
What is the molecular formula of Fumaridine?
The molecular formula of Fumaridine is C22H24N2O5.
What is the molecular weight of Fumaridine?
The molecular weight of Fumaridine is 396.17 g/mol.
Where can I buy Fumaridine?
You can request a quote for Fumaridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaridine?
Yes, KEHONG BIO provides custom synthesis services for Fumaridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.