![ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/492/492456-13-0.png)
ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 492456-13-0) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL 7-METHYL-2-[(Z)-1-(1-METHYL-1H-PYRAZOL-4-YL)METHYLIDENE]-3-OXO-5-PHENYL-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6(3H)-CARBOXYLATE
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 1.5318 |
| Topological Polar Surface Area | 78.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1281.4207 |
Chemical Identifiers
| CAS Number | 492456-13-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C/C4=CN(N=C4)C)/S2)C |
Product Overview
ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 492456-13-0), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: ethyl (2Z)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 1.5318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 78.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 6 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 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 492456-13-0.
What is the molecular formula of ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C21H20N4O3S.
What is the molecular weight of ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 408.13 g/mol.
Where can I buy ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-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 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.