TL;DR: 3-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022657-25-5) is a chemical compound with molecular formula C26H24N2O4 and molecular weight 428.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-ethylphenyl)-3-(3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(4-ethylphenyl)-3-(3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-ethylphenyl)-3-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-ethylphenyl)-3-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C26H24N2O4 |
| Molecular Weight | 428.1736 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1736 Da |
| Heavy Atoms | 32 |
| Complexity | 685.0 |
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)OC |
| InChIKey | ZOJIDIFKCOZITF-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 3-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-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-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1022657-25-5.
The molecular formula of 3-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C26H24N2O4.
The molecular weight of 3-(4-ethylphenyl)-8-(3-methoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 428.1736 g/mol.
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