TL;DR: BIM-0032634.P001 (CAS 292053-20-4) is a chemical compound with molecular formula C12H10N4O3S and molecular weight 290.04736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: BIM-0032634.P001, 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one, (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 4-((1E)-2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-azavinyl)-6-methyl-3-thioxo-2H- 1,2,4-triazin-5-one, 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-methyl-3-sulfanyl-1,2,4-triazin-5(4H)-one
| Molecular Formula | C12H10N4O3S |
| Molecular Weight | 290.04736 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.04736 Da |
| Heavy Atoms | 20 |
| Complexity | 493.0 |
| SMILES | CC1=NNC(=S)N(C1=O)/N=C/C2=CC3=C(C=C2)OCO3 |
| InChIKey | VUTOPTBKDYHHDB-WLRTZDKTSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0032634.P001. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0032634.P001. Following Lipinski's Rule of Five, BIM-0032634.P001 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 BIM-0032634.P001 is 292053-20-4.
The molecular formula of BIM-0032634.P001 is C12H10N4O3S.
The molecular weight of BIM-0032634.P001 is 290.04736 g/mol.
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