TL;DR: ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate (CAS 1005056-24-5) is a chemical compound with molecular formula C24H19ClN2O6 and molecular weight 466.09317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, F1275-0048, ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, ethyl 4-[2-(4-chlorophenyl)-3-(2-furyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate, ethyl 4-(2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate
| Molecular Formula | C24H19ClN2O6 |
| Molecular Weight | 466.09317 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.09317 Da |
| Heavy Atoms | 33 |
| Complexity | 764.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CO5 |
| InChIKey | HNJRRLPWIAKGJM-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate is 1005056-24-5.
The molecular formula of ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate is C24H19ClN2O6.
The molecular weight of ethyl 4-[2-(4-chlorophenyl)-3-(furan-2-yl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate is 466.09317 g/mol.
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