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Nafetolol structure
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Nafetolol

TL;DR: Nafetolol (CAS 42050-23-7) is a chemical compound with molecular formula C19H29NO3 and molecular weight 319.21475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

6-[3-(tert-butylamino)-2-hydroxypropoxy]tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ol

Also Known As: Nafetolol, Nafetololum, Nafetolol [INN], d-Glucal, Nafetololum [INN-Latin]

CAS Number
42050-23-7
Molecular Formula
C19H29NO3
Molecular Weight
319.21475 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (32 patents) Organic Building Blocks (17 patents) Pharmaceutical Intermediates (39 patents)

Technical Specifications

Molecular FormulaC19H29NO3
Molecular Weight319.21475 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)61.7 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds6
Exact Mass319.21475 Da
Heavy Atoms23
Complexity387.0
SMILESCC(C)(C)NCC(COC1=C2C3CCC(C2=C(C=C1)O)CC3)O
InChIKeyGEVXLKYQQIKELK-UHFFFAOYSA-N

Chemical Property Profile of Nafetolol

XLogP
3.3
TPSA (Topological Polar Surface Area)
61.7
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
6
Heavy Atoms
23
Complexity
387.0
Exact Mass
319.21475
Monoisotopic Mass
319.21475
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 Nafetolol

The XLogP value of 3.3 indicates that Nafetolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Nafetolol. Following Lipinski's Rule of Five, Nafetolol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Nafetolol?

The CAS number of Nafetolol is 42050-23-7.

What is the molecular formula of Nafetolol?

The molecular formula of Nafetolol is C19H29NO3.

What is the molecular weight of Nafetolol?

The molecular weight of Nafetolol is 319.21475 g/mol.

Where can I buy Nafetolol?

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

Does CoreyChem offer custom synthesis for Nafetolol?

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

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