TL;DR: 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023006-15-6) is a chemical compound with molecular formula C31H34N2O6 and molecular weight 530.2417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C31H34N2O6 |
| Molecular Weight | 530.2417 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 530.2417 Da |
| Heavy Atoms | 39 |
| Complexity | 819.0 |
| SMILES | CCCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)OCC)ON2C5=CC=CC=C5)OCC |
| InChIKey | WZVOTJPLDFAAHD-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023006-15-6.
The molecular formula of 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C31H34N2O6.
The molecular weight of 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 530.2417 g/mol.
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