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4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- structure
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4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-

TL;DR: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- (CAS 114439-81-5) is a chemical compound with molecular formula C31H26N2O5 and molecular weight 506.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[4-[(3,4-dimethoxyphenyl)methylideneamino]benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one

Also Known As: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-, 3-[4-[(3,4-dimethoxyphenyl)methylideneamino]benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one

CAS Number
114439-81-5
Molecular Formula
C31H26N2O5
Molecular Weight
506.18417 g/mol
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Technical Specifications

Molecular FormulaC31H26N2O5
Molecular Weight506.18417 g/mol
XLogP5.8
Topological Polar Surface Area (TPSA)77.4 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass506.18417 Da
Heavy Atoms38
Complexity832.0
SMILESCC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)N=CC5=CC(=C(C=C5)OC)OC
InChIKeyGQQPTHILJFHBRJ-UHFFFAOYSA-N

Chemical Property Profile of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-

XLogP
5.8
TPSA (Topological Polar Surface Area)
77.4
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
38
Complexity
832.0
Exact Mass
506.18417
Monoisotopic Mass
506.18417
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-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-

The XLogP value of 5.8 indicates that 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-?

The CAS number of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is 114439-81-5.

What is the molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-?

The molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is C31H26N2O5.

What is the molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-?

The molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- is 506.18417 g/mol.

Where can I buy 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-?

You can request a quote for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)-?

Yes, CoreyChem provides custom synthesis services for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-(((3,4-dimethoxyphenyl)methylene)amino)benzoyl)-2-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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