TL;DR: (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 1321706-82-4) is a chemical compound with molecular formula C32H28BrClN2O5S and molecular weight 666.0591 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2Z)-2-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[4-(benzyloxy)-3-bromo-5-ethoxybenzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2Z)-2-{[4-(BENZYLOXY)-3-BROMO-5-ETHOXYPHENYL]METHYLIDENE}-5-(4-CHLOROPHENYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C32H28BrClN2O5S |
| Molecular Weight | 666.0591 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 666.0591 Da |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)Cl)Br)OCC5=CC=CC=C5 |
| InChIKey | BIMVFFNNMVRJNK-ONUIUJJFSA-N |
The XLogP value of 7.6 indicates that (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 1321706-82-4.
The molecular formula of (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C32H28BrClN2O5S.
The molecular weight of (Z)-ethyl 2-(4-(benzyloxy)-3-bromo-5-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 666.0591 g/mol.
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