TL;DR: Adr 882 (CAS 138559-57-6) is a chemical compound with molecular formula C16H20ClN3O2 and molecular weight 321.1244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
Also Known As: Adr 882, (R)-ADR 882, 3H-Indolium,1-(2-hydroxyethyl)-2,3,3-trimethyl, 4-Amino-N-(1-azabicyclo(2.2.2)oct-3-yl)-5-chloro-2,3-dihydrobenzo(b)-furan-7-carboxamide, 4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
| Molecular Formula | C16H20ClN3O2 |
| Molecular Weight | 321.1244 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.1244 Da |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
| SMILES | C1CN2CCC1[C@H](C2)NC(=O)C3=CC(=C(C4=C3OCC4)N)Cl |
| InChIKey | RZYIIEGPJPMBOE-ZDUSSCGKSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adr 882. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Adr 882. Following Lipinski's Rule of Five, Adr 882 has 2 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 Adr 882 is 138559-57-6.
The molecular formula of Adr 882 is C16H20ClN3O2.
The molecular weight of Adr 882 is 321.1244 g/mol.
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