TL;DR: 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022771-21-6) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(2-ethoxyphenyl)-2-phenyl-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(2-ethoxyphenyl)-2-phenyl-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(2-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C23H20N2O4S |
| Molecular Weight | 420.11438 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.11438 Da |
| Heavy Atoms | 30 |
| Complexity | 655.0 |
| SMILES | CCOC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CS5 |
| InChIKey | PDRWURHQLPIHQI-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-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. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione 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 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1022771-21-6.
The molecular formula of 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C23H20N2O4S.
The molecular weight of 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 420.11438 g/mol.
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