TL;DR: Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate (CAS 125736-15-4) is a chemical compound with molecular formula C14H20ClNO3 and molecular weight 285.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (1R)-2-carbonochloridoyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Also Known As: Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate, 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(chlorocarbonyl)-, 1,1-dimethylethyl ester, (1R)-, tert-Butyl 2-(chlorocarbonyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate, (1R)-9-(tert-butoxycarbonyl)-2-(chlorocarbonyl)-9-azabicyclo<4.2.1>non-2-ene, tert-butyl (1R)-2-(chlorocarbonyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
| Molecular Formula | C14H20ClNO3 |
| Molecular Weight | 285.11316 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.11316 Da |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
| SMILES | CC(C)(C)OC(=O)N1[C@@H]2CCC1CCC=C2C(=O)Cl |
| InChIKey | BPRKKWMWEZXYBK-HCCKASOXSA-N |
The XLogP value of 3.0 indicates that Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate is 125736-15-4.
The molecular formula of Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate is C14H20ClNO3.
The molecular weight of Tert-butyl (6R)-5-carbonochloridoyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate is 285.11316 g/mol.
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