![ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/512/512811-75-5.png)
ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 512811-75-5) is a chemical compound with molecular formula C26H31N5O3S and molecular weight 493.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-dimethylaminophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H31N5O3S |
|---|---|
| Molecular Weight | 493.21 g/mol |
| LogP | 2.69754 |
| Topological Polar Surface Area | 81.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.21475 |
| Heavy Atoms | 35 |
| Complexity | 1489.1572 |
Chemical Identifiers
| CAS Number | 512811-75-5 |
|---|---|
| SMILES | CCN1C(=C(C(=N1)C)/C=C\2/C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)N(C)C)C |
Product Overview
ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 512811-75-5), with molecular formula C26H31N5O3S and molecular weight 493.21 g/mol. IUPAC: ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.69754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 81.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 512811-75-5.
What is the molecular formula of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C26H31N5O3S.
What is the molecular weight of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 493.21 g/mol.
Where can I buy ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,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 (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.