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Juglone structure
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Juglone

TL;DR: Juglone (CAS 481-39-0) is a chemical compound with molecular formula C10H6O3 and molecular weight 174.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-hydroxynaphthalene-1,4-dione

Also Known As: juglone, 5-Hydroxy-1,4-naphthoquinone, 5-Hydroxy-1,4-naphthalenedione, Regianin, Nucin

CAS Number
481-39-0
Molecular Formula
C10H6O3
Molecular Weight
174.0317 g/mol
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Application Areas

Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (73 patents) Analytical Reagents (67 patents) Biotechnology (46 patents) Catalysts (6 patents) Coatings & Adhesives (9 patents)

Technical Specifications

Molecular FormulaC10H6O3
Molecular Weight174.0317 g/mol
XLogP1.9
Topological Polar Surface Area (TPSA)54.4 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds0
Exact Mass174.0317 Da
Heavy Atoms13
Complexity280.0
Melting Point155 °C
SMILESC1=CC2=C(C(=O)C=CC2=O)C(=C1)O
InChIKeyKQPYUDDGWXQXHS-UHFFFAOYSA-N

Product Description

Applications: Juglone is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Juglone (CAS 481-39-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Juglone is a pharmaceutical intermediate identified by CAS number 481-39-0 and the molecular formula C10H6O3 and a molecular weight of 174.03 g/mol. It is also known as juglone and 5-Hydroxy-1,4-naphthoquinone.

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 Juglone

XLogP
1.9
TPSA (Topological Polar Surface Area)
54.4
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
13
Complexity
280.0
Exact Mass
174.0317
Monoisotopic Mass
174.0317
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 Juglone

The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Juglone. With a topological polar surface area (TPSA) of 54.4 Ų, Juglone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Juglone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Juglone?

The CAS number of Juglone is 481-39-0.

What is the molecular formula of Juglone?

The molecular formula of Juglone is C10H6O3.

What is the molecular weight of Juglone?

The molecular weight of Juglone is 174.0317 g/mol.

What are the applications of Juglone?

Juglone is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Juglone (CAS 481-39-0) with custom synthesis available from milligram...

Where can I buy Juglone?

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

Does CoreyChem offer custom synthesis for Juglone?

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

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