MCI826
TL;DR: MCI826 (CAS 140646-80-6) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-diethyl-4-oxo-4-[3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]anilino]butanoic acid
Also Known As: MCI826
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H28N2O3S |
| Molecular Weight | 400.18207 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.18207 Da |
| Heavy Atoms | 28 |
| Complexity | 560.0 |
| SMILES | CCC(CC)(CC(=O)NC1=CC=CC(=C1)C=CC2=NC(=CS2)C(C)C)C(=O)O |
| InChIKey | PGLNVMJTDKEOBE-UHFFFAOYSA-N |
Chemical Property Profile of MCI826
Property Insights of MCI826
The XLogP value of 4.7 indicates that MCI826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for MCI826. Following Lipinski's Rule of Five, MCI826 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
What is the CAS number of MCI826?
The CAS number of MCI826 is 140646-80-6.
What is the molecular formula of MCI826?
The molecular formula of MCI826 is C22H28N2O3S.
What is the molecular weight of MCI826?
The molecular weight of MCI826 is 400.18207 g/mol.
Where can I buy MCI826?
You can request a quote for MCI826 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for MCI826?
Yes, CoreyChem provides custom synthesis services for MCI826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.