TL;DR: 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1) (CAS 121771-84-4) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sulfuric acid;3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine
Also Known As: 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1), 2,5,6,11-Tetrahydro-3H-imidazo(2,1-b)(3)benzazepine sulfate, 2,5,6,11-Tetrahydro-3H-imidazo(2,1-b)(3)benzazepin-1-ium hydrogensulfat [German], 2,5,6,11-Tetrahydro-3H-imidazo(2,1-b)(3)benzazepin-1-ium hydrogensulfat, 3H-Imidazo(2,1-b)(3)benzazepine,2,5,6,11-tetrahydro-,sulfate (1:1)
| Molecular Formula | C12H16N2O4S |
| Molecular Weight | 284.08307 g/mol |
| XLogP | 0.8465 |
| Topological Polar Surface Area (TPSA) | 98.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.08307 Da |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
| SMILES | C1CN2CCN=C2CC3=CC=CC=C31.OS(=O)(=O)O |
| InChIKey | NBCVSDLMPWFYBF-UHFFFAOYSA-N |
The XLogP value of 0.8465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1). The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1). Following Lipinski's Rule of Five, 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1) has 2 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 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1) is 121771-84-4.
The molecular formula of 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1) is C12H16N2O4S.
The molecular weight of 3H-Imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1) is 284.08307 g/mol.
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