Stirocainide fumarate
TL;DR: Stirocainide fumarate (CAS 66660-95-5) is a chemical compound with molecular formula C26H38N2O5 and molecular weight 458.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl-di(propan-2-yl)azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Stirocainide fumarate, Egyt 1855, TH 494, 2-[(E)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl-di(propan-2-yl)azanium;(E)-4-hydroxy-4-oxobut-2-enoate, Cycloheptanone, 2-(phenylmethylene)-, O-(2-(bis(1-methylethyl)amino)ethyl)oxime, (E)-2-butenedioate (1:1)
| Molecular Formula | C26H38N2O5 |
|---|---|
| Molecular Weight | 458.28 g/mol |
| LogP | 2.4855 |
| Topological Polar Surface Area | 103.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.27808 |
| Heavy Atoms | 33 |
| Complexity | 789.23096 |
Chemical Identifiers
| CAS Number | 66660-95-5 |
|---|---|
| SMILES | CC(C)[NH+](CCO/N=C/1\CCCCC\C1=C/C2=CC=CC=C2)C(C)C.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
Stirocainide fumarate (CAS 66660-95-5), with molecular formula C26H38N2O5 and molecular weight 458.28 g/mol. IUPAC: 2-[(E)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl-di(propan-2-yl)azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Stirocainide fumarate
Property Insights of Stirocainide fumarate
The XLogP value of 2.4855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stirocainide fumarate. The TPSA of 103.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Stirocainide fumarate. Following Lipinski's Rule of Five, Stirocainide fumarate 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 Stirocainide fumarate?
The CAS number of Stirocainide fumarate is 66660-95-5.
What is the molecular formula of Stirocainide fumarate?
The molecular formula of Stirocainide fumarate is C26H38N2O5.
What is the molecular weight of Stirocainide fumarate?
The molecular weight of Stirocainide fumarate is 458.28 g/mol.
Where can I buy Stirocainide fumarate?
You can request a quote for Stirocainide fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stirocainide fumarate?
Yes, KEHONG BIO provides custom synthesis services for Stirocainide fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.