Isamoxole
TL;DR: Isamoxole (CAS 57067-46-6) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
Also Known As: ISAMOXOLE, Isamoxol, Isamoxolum, Compound 90606, Isamoxole (USAN/INN)
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 57067-46-6 |
|---|---|
| SMILES | CCCCN(C1=NC(=CO1)C)C(=O)C(C)C |
| InChIKey | VMBNXRJYPJRJIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isamoxole (CAS 57067-46-6), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide.
Chemical Property Profile of Isamoxole
Property Insights of Isamoxole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isamoxole. With a topological polar surface area (TPSA) of 46.3 Ų, Isamoxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isamoxole has 0 hydrogen bond donor(s) and 3 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 Isamoxole?
The CAS number of Isamoxole is 57067-46-6.
What is the molecular formula of Isamoxole?
The molecular formula of Isamoxole is C12H20N2O2.
What is the molecular weight of Isamoxole?
The molecular weight of Isamoxole is 224.15 g/mol.
Where can I buy Isamoxole?
You can request a quote for Isamoxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isamoxole?
Yes, KEHONG BIO provides custom synthesis services for Isamoxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.