TL;DR: VU0507595-1 (CAS 1005108-45-1) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dimethyl-2-(1-phenylethyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
Also Known As: VU0507595-1, F3023-0228, AS-871/43476034, 4,7-dimethyl-2-(1-phenylethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, 1,7-dimethyl-4-(1-phenylethyl)-10-oxa-4-azatricyclo[5.2.1.0(2),]dec-8-ene-3,5-dione
| Molecular Formula | C18H19NO3 |
| Molecular Weight | 297.1365 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.1365 Da |
| Heavy Atoms | 22 |
| Complexity | 529.0 |
| SMILES | CC(C1=CC=CC=C1)N2C(=O)C3C(C2=O)C4(C=CC3(O4)C)C |
| InChIKey | VBFMYOCTVDGISC-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0507595-1. With a topological polar surface area (TPSA) of 46.6 Ų, VU0507595-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0507595-1 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VU0507595-1 is 1005108-45-1.
The molecular formula of VU0507595-1 is C18H19NO3.
The molecular weight of VU0507595-1 is 297.1365 g/mol.
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