TL;DR: (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione (CAS 1214623-37-6) is a chemical compound with molecular formula C20H24BrN3O2 and molecular weight 417.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5'-bromo-1',5-diethyl-7-methylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
Also Known As: (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione, (5s,7s)-5'-bromo-1',5-diethyl-7-methyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione, 5'-bromo-1',5-diethyl-7-methyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
| Molecular Formula | C20H24BrN3O2 |
| Molecular Weight | 417.1052 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.1052 Da |
| Heavy Atoms | 26 |
| Complexity | 664.0 |
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C34C5=C(C=CC(=C5)Br)N(C4=O)CC)C |
| InChIKey | YVPGACXPJCLPQE-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione. With a topological polar surface area (TPSA) of 43.9 Ų, (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione has 0 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 (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is 1214623-37-6.
The molecular formula of (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is C20H24BrN3O2.
The molecular weight of (1S,5S,7R)-5'-bromo-1',5-diethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is 417.1052 g/mol.
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