TL;DR: 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022483-04-0) is a chemical compound with molecular formula C27H26N2O4 and molecular weight 442.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-mesityl-3-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C27H26N2O4 |
| Molecular Weight | 442.18927 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.18927 Da |
| Heavy Atoms | 33 |
| Complexity | 726.0 |
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)OC)C |
| InChIKey | GCMPOJXQRBLRKU-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-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. With a topological polar surface area (TPSA) of 59.1 Ų, 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022483-04-0.
The molecular formula of 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C27H26N2O4.
The molecular weight of 3-(3-methoxyphenyl)-2-phenyl-5-(2,4,6-trimethylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 442.18927 g/mol.
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