TL;DR: VU0511059-1 (CAS 1008213-08-8) is a chemical compound with molecular formula C18H14ClN5O3 and molecular weight 383.07852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]-N-phenylacetamide
Also Known As: VU0511059-1, AB00683110-01, F3165-0158, 2-[5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]-N-phenylacetamide, 2-[5-(4-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-phenylacetamide
| Molecular Formula | C18H14ClN5O3 |
| Molecular Weight | 383.07852 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 94.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.07852 Da |
| Heavy Atoms | 27 |
| Complexity | 643.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N=N2 |
| InChIKey | BGKXUSYEXXDXAN-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that VU0511059-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0511059-1. Following Lipinski's Rule of Five, VU0511059-1 has 1 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 VU0511059-1 is 1008213-08-8.
The molecular formula of VU0511059-1 is C18H14ClN5O3.
The molecular weight of VU0511059-1 is 383.07852 g/mol.
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