MCI826
TL;DR: MCI826 (CAS 140646-80-6) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 140646-80-6 |
|---|---|
| SMILES | CCC(CC)(CC(=O)NC1=CC=CC(=C1)C=CC2=NC(=CS2)C(C)C)C(=O)O |
| InChIKey | PGLNVMJTDKEOBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCI826 (CAS 140646-80-6), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: 2,2-diethyl-4-oxo-4-[3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]anilino]butanoic acid.
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
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 400.18 g/mol.
Where can I buy MCI826?
You can request a quote for MCI826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCI826?
Yes, KEHONG BIO provides custom synthesis services for MCI826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.