TL;DR: VAS 2870 (CAS 1010929-43-7) is a chemical compound with molecular formula C18H12N6OS and molecular weight 360.0793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-benzoxazole
Also Known As: VAS 2870, 2-((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)benzo[d]oxazole, EX-A3816, VAS 2870?, 1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide
| Molecular Formula | C18H12N6OS |
| Molecular Weight | 360.0793 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.0793 Da |
| Heavy Atoms | 26 |
| Complexity | 479.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SC4=NC5=CC=CC=C5O4)N=N2 |
| InChIKey | HZSOKHVVANONPV-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that VAS 2870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VAS 2870. Following Lipinski's Rule of Five, VAS 2870 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VAS 2870 is 1010929-43-7.
The molecular formula of VAS 2870 is C18H12N6OS.
The molecular weight of VAS 2870 is 360.0793 g/mol.
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