Ecadotril
TL;DR: Ecadotril (CAS 112573-73-6) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Also Known As: ECADOTRIL, Sinorphan, Racecadotril, Ecadotrilo, ecadotrilum
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H23NO4S |
| Molecular Weight | 385.13477 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 385.13477 Da |
| Heavy Atoms | 27 |
| Complexity | 485.0 |
| SMILES | CC(=O)SC[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2 |
| InChIKey | ODUOJXZPIYUATO-LJQANCHMSA-N |
Chemical Property Profile of Ecadotril
Property Insights of Ecadotril
The XLogP value of 3.3 indicates that Ecadotril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecadotril. Following Lipinski's Rule of Five, Ecadotril has 1 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 Ecadotril?
The CAS number of Ecadotril is 112573-73-6.
What is the molecular formula of Ecadotril?
The molecular formula of Ecadotril is C21H23NO4S.
What is the molecular weight of Ecadotril?
The molecular weight of Ecadotril is 385.13477 g/mol.
Where can I buy Ecadotril?
You can request a quote for Ecadotril directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ecadotril?
Yes, CoreyChem provides custom synthesis services for Ecadotril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.