TL;DR: 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1023266-04-7) is a chemical compound with molecular formula C29H34N2O5 and molecular weight 490.24677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,5-diethyl-3,4-dihydropyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(2,5-diethyl-3,4-dihydropyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C29H34N2O5 |
| Molecular Weight | 490.24677 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.24677 Da |
| Heavy Atoms | 36 |
| Complexity | 832.0 |
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON(C3C4(CCC(=CO4)CC)CC)C5=CC=CC=C5 |
| InChIKey | QJZAAVNLNNRBFQ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1023266-04-7.
The molecular formula of 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C29H34N2O5.
The molecular weight of 3-(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 490.24677 g/mol.
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