Bis(3-methylpyridinium) fumarate 1,1'-dioxide
TL;DR: Bis(3-methylpyridinium) fumarate 1,1'-dioxide (CAS 55038-36-3) is a chemical compound with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-methylpyridine;1-oxidopyridin-1-ium-3-carbaldehyde
Also Known As: EINECS 259-451-9, C6H7NO.1/2C4H4O4, Bis(3-methylpyridinium) fumarate 1,1'-dioxide, C6-H7-N-O.1/2C4-H4-O4, bis-(3-Methylpyridinium) fumarate 1,1'-dioxide
| Molecular Formula | C16H16N2O6 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 1.23432 |
| Topological Polar Surface Area | 131.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.10083 |
| Heavy Atoms | 24 |
| Complexity | 669.9768 |
Chemical Identifiers
| CAS Number | 55038-36-3 |
|---|---|
| SMILES | CC1=CN=CC=C1.C1=CC(=C[N+](=C1)[O-])C=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Bis(3-methylpyridinium) fumarate 1,1'-dioxide (CAS 55038-36-3), with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol. IUPAC: (E)-but-2-enedioic acid;3-methylpyridine;1-oxidopyridin-1-ium-3-carbaldehyde.
Chemical Property Profile of Bis(3-methylpyridinium) fumarate 1,1'-dioxide
Property Insights of Bis(3-methylpyridinium) fumarate 1,1'-dioxide
The XLogP value of 1.23432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(3-methylpyridinium) fumarate 1,1'-dioxide. The TPSA of 131.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3-methylpyridinium) fumarate 1,1'-dioxide. Following Lipinski's Rule of Five, Bis(3-methylpyridinium) fumarate 1,1'-dioxide has 2 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 Bis(3-methylpyridinium) fumarate 1,1'-dioxide?
The CAS number of Bis(3-methylpyridinium) fumarate 1,1'-dioxide is 55038-36-3.
What is the molecular formula of Bis(3-methylpyridinium) fumarate 1,1'-dioxide?
The molecular formula of Bis(3-methylpyridinium) fumarate 1,1'-dioxide is C16H16N2O6.
What is the molecular weight of Bis(3-methylpyridinium) fumarate 1,1'-dioxide?
The molecular weight of Bis(3-methylpyridinium) fumarate 1,1'-dioxide is 332.10 g/mol.
Where can I buy Bis(3-methylpyridinium) fumarate 1,1'-dioxide?
You can request a quote for Bis(3-methylpyridinium) fumarate 1,1'-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-methylpyridinium) fumarate 1,1'-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-methylpyridinium) fumarate 1,1'-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.