TL;DR: VU0615959-1 (CAS 1105214-01-4) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.1416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Also Known As: VU0615959-1, F3382-6992, N-benzyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide, N-benzyl-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide, 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]-N-(phenylmethyl)acetamide
| Molecular Formula | C21H21N5O2S |
| Molecular Weight | 407.1416 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1416 Da |
| Heavy Atoms | 29 |
| Complexity | 585.0 |
| SMILES | CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NCC4=CC=CC=C4 |
| InChIKey | PXDGCWYFPDQSDG-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that VU0615959-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0615959-1. Following Lipinski's Rule of Five, VU0615959-1 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 VU0615959-1 is 1105214-01-4.
The molecular formula of VU0615959-1 is C21H21N5O2S.
The molecular weight of VU0615959-1 is 407.1416 g/mol.
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