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Racecadotril structure
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Racecadotril

TL;DR: Racecadotril (CAS 81110-73-8) 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-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate

Also Known As: Racecadotril, Acetorphan, Hidrasec, Tiorfan, Dexecadotril

CAS Number
81110-73-8
Molecular Formula
C21H23NO4S
Molecular Weight
385.13477 g/mol
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Application Areas

Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (3 patents) Biotechnology (10 patents) Heterocyclic Building Blocks (160 patents) Organic Building Blocks (91 patents) Organometallic Reagents (7 patents)

Technical Specifications

Molecular FormulaC21H23NO4S
Molecular Weight385.13477 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)97.8 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds11
Exact Mass385.13477 Da
Heavy Atoms27
Complexity485.0
SMILESCC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
InChIKeyODUOJXZPIYUATO-UHFFFAOYSA-N

Chemical Property Profile of Racecadotril

XLogP
3.3
TPSA (Topological Polar Surface Area)
97.8
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
11
Heavy Atoms
27
Complexity
485.0
Exact Mass
385.13477
Monoisotopic Mass
385.13477
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Racecadotril

The XLogP value of 3.3 indicates that Racecadotril 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 Racecadotril. Following Lipinski's Rule of Five, Racecadotril 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 Racecadotril?

The CAS number of Racecadotril is 81110-73-8.

What is the molecular formula of Racecadotril?

The molecular formula of Racecadotril is C21H23NO4S.

What is the molecular weight of Racecadotril?

The molecular weight of Racecadotril is 385.13477 g/mol.

Where can I buy Racecadotril?

You can request a quote for Racecadotril directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Racecadotril?

Yes, CoreyChem provides custom synthesis services for Racecadotril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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