TL;DR: (1S,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione (CAS 1212435-00-1) is a chemical compound with molecular formula C21H26BrN3O2 and molecular weight 431.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5'-bromo-1'-ethyl-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
Also Known As: (1S,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione, (5s,7s)-5'-bromo-1'-ethyl-5-methyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione, 5'-BROMO-1'-ETHYL-5-METHYL-7-PROPYL-6H-SPIRO[1,3-DIAZATRICYCLO[3.3.1.1(3,7)]DECANE-2,3'-INDOLE]-2',6(1'H)-DIONE
| Molecular Formula | C21H26BrN3O2 |
| Molecular Weight | 431.12085 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.12085 Da |
| Heavy Atoms | 27 |
| Complexity | 679.0 |
| SMILES | CCCC12CN3CC(C1=O)(CN(C2)C34C5=C(C=CC(=C5)Br)N(C4=O)CC)C |
| InChIKey | WDNOMYWMAVWHET-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione. With a topological polar surface area (TPSA) of 43.9 Ų, (1S,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-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,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-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,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is 1212435-00-1.
The molecular formula of (1S,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is C21H26BrN3O2.
The molecular weight of (1S,5R,7S)-5'-bromo-1'-ethyl-5-methyl-7-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is 431.12085 g/mol.
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