Dexecadotril
TL;DR: Dexecadotril (CAS 112573-72-5) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Also Known As: Dexecadotril, Retorphan, dexecadotrilo, (R)-Acetorphan, dexecadotrilum
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.9846 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 749.2916 |
Chemical Identifiers
| CAS Number | 112573-72-5 |
|---|---|
| SMILES | CC(=O)SC[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2 |
Product Overview
Dexecadotril (CAS 112573-72-5), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: benzyl 2-[[(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate.
Chemical Property Profile of Dexecadotril
Property Insights of Dexecadotril
The XLogP value of 2.9846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dexecadotril. The TPSA of 72.47 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
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 385.13 g/mol.
Where can I buy Dexecadotril?
You can request a quote for Dexecadotril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dexecadotril?
Yes, KEHONG BIO provides custom synthesis services for Dexecadotril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.