TL;DR: [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate (CAS 1212376-93-6) is a chemical compound with molecular formula C19H13ClN2O5 and molecular weight 384.0513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
Also Known As: [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate|4-((3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)phenyl acetate|4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl acetate|STK580098
| Molecular Formula | C19H13ClN2O5 |
| Molecular Weight | 384.0513 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.0513 Da |
| Heavy Atoms | 27 |
| Complexity | 665.0 |
| SMILES | CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)Cl |
| InChIKey | GECRJNLQEGVRKB-WBVHZDCISA-N |
The XLogP value of 3.1 indicates that [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate. Following Lipinski's Rule of Five, [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is 1212376-93-6.
The molecular formula of [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is C19H13ClN2O5.
The molecular weight of [4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is 384.0513 g/mol.
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