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Nefazodone structure
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Nefazodone

TL;DR: Nefazodone (CAS 83366-66-9) is a chemical compound with molecular formula C25H32ClN5O2 and molecular weight 469.22446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one

Also Known As: nefazodone, Nefazodona, Nefazodonum, Nefazodone Hcl, Serzone

CAS Number
83366-66-9
Molecular Formula
C25H32ClN5O2
Molecular Weight
469.22446 g/mol
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Application Areas

Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (85 patents) Analytical Reagents (199 patents) Biotechnology (1480 patents) Catalysts (1 patents) Coatings & Adhesives (3 patents)

Technical Specifications

Molecular FormulaC25H32ClN5O2
Molecular Weight469.22446 g/mol
XLogP4.3
Topological Polar Surface Area (TPSA)51.6 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds10
Exact Mass469.22446 Da
Heavy Atoms33
Complexity649.0
Melting Point83.5
Solubility6.98e-02 g/L
SMILESCCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChIKeyVRBKIVRKKCLPHA-UHFFFAOYSA-N

Product Description

Applications: Nefazodone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Nefazodone (CAS 83366-66-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

A pharmaceutical intermediate supplied by CoreyChem, Nefazodone (CAS 83366-66-9) has the molecular formula C25H32ClN5O2 and a molecular weight of 469.22 g/mol. Reported properties include a solubility: 6.98e-02 g/L. It is also known as nefazodone and Nefazodona.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Nefazodone

XLogP
4.3
TPSA (Topological Polar Surface Area)
51.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
10
Heavy Atoms
33
Complexity
649.0
Exact Mass
469.22446
Monoisotopic Mass
469.22446
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 Nefazodone

The XLogP value of 4.3 indicates that Nefazodone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Nefazodone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nefazodone has 0 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 Nefazodone?

The CAS number of Nefazodone is 83366-66-9.

What is the molecular formula of Nefazodone?

The molecular formula of Nefazodone is C25H32ClN5O2.

What is the molecular weight of Nefazodone?

The molecular weight of Nefazodone is 469.22446 g/mol.

What are the applications of Nefazodone?

Nefazodone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Nefazodone (CAS 83366-66-9) with custom...

Where can I buy Nefazodone?

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

Does CoreyChem offer custom synthesis for Nefazodone?

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

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