TL;DR: ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate (CAS 150012-90-1) is a chemical compound with molecular formula C11H17N3O2 and molecular weight 223.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate
Also Known As: ZERO/004557, ethyl 2-amino-5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-carboxylate, 1,2-pentamethylene-4-amino-5-ethoxycarbonylimidazole, ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate, ethyl 2-amino-5H,6H,7H,8H,9H-imidazo1,2-aazepine-3-carboxylate
| Molecular Formula | C11H17N3O2 |
| Molecular Weight | 223.13208 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.13208 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | CCOC(=O)C1=C(N=C2N1CCCCC2)N |
| InChIKey | IDGIHDVDPXEUMM-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate is 150012-90-1.
The molecular formula of ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate is C11H17N3O2.
The molecular weight of ethyl 2-amino-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate is 223.13208 g/mol.
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