TL;DR: 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione (CAS 138277-78-8) is a chemical compound with molecular formula C26H38N2O4 and molecular weight 442.28317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
Also Known As: alnespirone, Alnespirone [INN], Alnespirone (racemate), PDSP1_000057, PDSP2_000057
| Molecular Formula | C26H38N2O4 |
| Molecular Weight | 442.28317 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.28317 Da |
| Heavy Atoms | 32 |
| Complexity | 628.0 |
| SMILES | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3 |
| InChIKey | DLLULNTXJPATBC-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is 138277-78-8.
The molecular formula of 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is C26H38N2O4.
The molecular weight of 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione is 442.28317 g/mol.
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