TL;DR: 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide (CAS 115242-38-1) is a chemical compound with molecular formula C11H12N4O4S and molecular weight 296.05792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-7-nitro-3,4-dihydro-[1,2,5]thiadiazino[5,6-a]benzimidazole 1,1-dioxide
Also Known As: 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide, 2-Ethyl-7-nitro-3,4-dihydro-2H-1,2,5-thiadiazino(5,6-a)benzimidazole 1,1-dioxide, 3,4-Dihydro-2H-2-ethyl-7-nitro-(1,2,5)-thiadiazino(5,6-a)benzimidazole 1,1-dioxide, 2-ethyl-7-nitro-3,4-dihydro-[1,2,5]thiadiazino[5,6-a]benzimidazole 1,1-dioxide, 2-Ethyl-7-nitro-3,4-dihydro-1lambda~6~-[1,2,5]thiadiazino[5,6-a][1,3]benzimidazole-1,1(2H)-dione
| Molecular Formula | C11H12N4O4S |
| Molecular Weight | 296.05792 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.05792 Da |
| Heavy Atoms | 20 |
| Complexity | 500.0 |
| SMILES | CCN1CCN2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2S1(=O)=O |
| InChIKey | RKBQFGUKJPAILP-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide has 0 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 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide is 115242-38-1.
The molecular formula of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide is C11H12N4O4S.
The molecular weight of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-, 1,1-dioxide is 296.05792 g/mol.
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