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Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure
Fine Chemical

Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

TL;DR: Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 1005670-44-9) is a chemical compound with molecular formula C28H26N4O4S and molecular weight 514.1675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Also Known As: Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS Number
1005670-44-9
Molecular Formula
C28H26N4O4S
Molecular Weight
514.1675 g/mol
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Technical Specifications

Molecular FormulaC28H26N4O4S
Molecular Weight514.1675 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)122.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds6
Exact Mass514.1675 Da
Heavy Atoms37
Complexity996.0
SMILESCCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)O)C(=O)C(=CC4=C(N(N=C4C)C5=CC=CC=C5)C)S2)C
InChIKeyWCDGHNIQYUMZKC-UHFFFAOYSA-N

Chemical Property Profile of Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

XLogP
4.9
TPSA (Topological Polar Surface Area)
122.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
6
Heavy Atoms
37
Complexity
996.0
Exact Mass
514.1675
Monoisotopic Mass
514.1675
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 Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

The XLogP value of 4.9 indicates that Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate?

The CAS number of Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 1005670-44-9.

What is the molecular formula of Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate?

The molecular formula of Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C28H26N4O4S.

What is the molecular weight of Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate?

The molecular weight of Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 514.1675 g/mol.

Where can I buy Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate?

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Does CoreyChem offer custom synthesis for Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate?

Yes, CoreyChem provides custom synthesis services for Ethyl 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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