TL;DR: 3-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1023839-71-5) is a chemical compound with molecular formula C24H18Cl2N2O4 and molecular weight 468.06436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-benzyl-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-benzyl-3-(3,5-dichloro-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C24H18Cl2N2O4 |
| Molecular Weight | 468.06436 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.06436 Da |
| Heavy Atoms | 32 |
| Complexity | 712.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C(=CC(=C5)Cl)Cl)O |
| InChIKey | RZOPRTLUUCKVMN-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 3-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-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. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 1 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-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1023839-71-5.
The molecular formula of 3-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C24H18Cl2N2O4.
The molecular weight of 3-benzyl-8-(3,5-dichloro-2-hydroxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 468.06436 g/mol.
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