Dexecadotril
TL;DR: Dexecadotril (CAS 112573-72-5) 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-[[(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Also Known As: Dexecadotril, Retorphan, dexecadotrilo, (R)-Acetorphan, dexecadotrilum
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-IBGZPJMESA-N |
Chemical Property Profile of Dexecadotril
Property Insights of Dexecadotril
The XLogP value of 3.3 indicates that Dexecadotril 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 Dexecadotril. Following Lipinski's Rule of Five, Dexecadotril 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 Dexecadotril?
The CAS number of Dexecadotril is 112573-72-5.
What is the molecular formula of Dexecadotril?
The molecular formula of Dexecadotril is C21H23NO4S.
What is the molecular weight of Dexecadotril?
The molecular weight of Dexecadotril is 385.13477 g/mol.
Where can I buy Dexecadotril?
You can request a quote for Dexecadotril directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dexecadotril?
Yes, CoreyChem provides custom synthesis services for Dexecadotril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.