TL;DR: VU0509421-1 (CAS 1005151-29-0) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-5-ethyl-3-(4-hydroxy-3-methoxyphenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: VU0509421-1, VU0509421-2, F3115-0072, 1-benzyl-5-ethyl-3-(4-hydroxy-3-methoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 1-benzyl-5-ethyl-3-(4-hydroxy-3-methoxyphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
| Molecular Formula | C21H23N3O4 |
| Molecular Weight | 381.16885 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.16885 Da |
| Heavy Atoms | 28 |
| Complexity | 594.0 |
| SMILES | CCN1C(=O)C2C(NN(C2C1=O)CC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC |
| InChIKey | DUIDWOYQQPTERY-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509421-1. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509421-1. Following Lipinski's Rule of Five, VU0509421-1 has 2 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 VU0509421-1 is 1005151-29-0.
The molecular formula of VU0509421-1 is C21H23N3O4.
The molecular weight of VU0509421-1 is 381.16885 g/mol.
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