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4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- structure
Fine Chemical

4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-

TL;DR: 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- (CAS 78164-38-2) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

6-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,1-benzoxazin-4-one

Also Known As: Avenalumin I, 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-, 2-[2-(4-Hydroxyphenyl)ethenyl]-6-hydroxy-4H-3,1-benzoxazin-4-one, 6-hydroxy-2-[2-(4-hydroxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one, 6-hydroxy-2-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one

CAS Number
78164-38-2
Molecular Formula
C16H11NO4
Molecular Weight
281.06882 g/mol
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Technical Specifications

Molecular FormulaC16H11NO4
Molecular Weight281.06882 g/mol
XLogP2.6
Topological Polar Surface Area (TPSA)79.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds2
Exact Mass281.06882 Da
Heavy Atoms21
Complexity451.0
SMILESC1=CC(=CC=C1/C=C/C2=NC3=C(C=C(C=C3)O)C(=O)O2)O
InChIKeyMWMMPGDUPHYPAA-FPYGCLRLSA-N

Product Description

Applications: 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- (CAS 78164-38-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- is a fine chemical identified by CAS number 78164-38-2 and the molecular formula C16H11NO4 and a molecular weight of 281.07 g/mol. It is also known as Avenalumin I and 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-

XLogP
2.6
TPSA (Topological Polar Surface Area)
79.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
21
Complexity
451.0
Exact Mass
281.06882
Monoisotopic Mass
281.06882
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 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-

The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- has 2 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 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-?

The CAS number of 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- is 78164-38-2.

What is the molecular formula of 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-?

The molecular formula of 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- is C16H11NO4.

What is the molecular weight of 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-?

The molecular weight of 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- is 281.06882 g/mol.

What are the applications of 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-?

4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- (CAS...

Where can I buy 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-?

You can request a quote for 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)-?

Yes, CoreyChem provides custom synthesis services for 4H-3,1-Benzoxazin-4-one, 6-hydroxy-2-((1E)-2-(4-hydroxyphenyl)ethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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