![methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/469/469879-44-5.png)
methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 469879-44-5) is a chemical compound with molecular formula C28H28N2O3S and molecular weight 472.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, METHYL (2E)-5-(4-TERT-BUTYLPHENYL)-7-METHYL-3-OXO-2-[(2E)-3-PHENYL-2-PROPENYLIDENE]-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, methyl (2E)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, METHYL (2E)-5-(4-TERT-BUTYLPHENYL)-7-METHYL-3-OXO-2-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C28H28N2O3S |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 4.3708 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.18207 |
| Heavy Atoms | 34 |
| Complexity | 1451.0195 |
Chemical Identifiers
| CAS Number | 469879-44-5 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=N1)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC |
Product Overview
methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 469879-44-5), with molecular formula C28H28N2O3S and molecular weight 472.18 g/mol. IUPAC: methyl (2E)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 4.3708 indicates that methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-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 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 5 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 methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 469879-44-5.
What is the molecular formula of methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C28H28N2O3S.
What is the molecular weight of methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 472.18 g/mol.
Where can I buy methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-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 methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[4-(tert-butyl)phenyl]-7-methyl-3-oxo-2-[(E,2E)-3-phenyl-2-propenylidene]-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.