![ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/5730/5730-41-6.webp)
ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5730-41-6) is a chemical compound with molecular formula C34H28N4O5S and molecular weight 604.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 5-[4-(acetyloxy)phenyl]-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C34H28N4O5S |
|---|---|
| Molecular Weight | 604.18 g/mol |
| LogP | 4.5763 |
| Topological Polar Surface Area | 104.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 604.17804 |
| Heavy Atoms | 44 |
| Complexity | 2075.1475 |
Chemical Identifiers
| CAS Number | 5730-41-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)S2)C |
Product Overview
ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5730-41-6), with molecular formula C34H28N4O5S and molecular weight 604.18 g/mol. IUPAC: ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 4.5763 indicates that ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 5730-41-6.
What is the molecular formula of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C34H28N4O5S.
What is the molecular weight of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 604.18 g/mol.
Where can I buy ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(4-acetyloxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.