TL;DR: Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)- (CAS 1210437-89-0) is a chemical compound with molecular formula C23H34N2O2S and molecular weight 402.2341 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azepan-1-yl-[1-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperidin-4-yl]methanone
Also Known As: Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-, azepan-1-yl-[1-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperidin-4-yl]methanone
| Molecular Formula | C23H34N2O2S |
| Molecular Weight | 402.2341 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.2341 Da |
| Heavy Atoms | 28 |
| Complexity | 539.0 |
| SMILES | C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4 |
| InChIKey | GBRCXUUYYHPPPY-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-. Following Lipinski's Rule of Five, Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)- 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 Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)- is 1210437-89-0.
The molecular formula of Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)- is C23H34N2O2S.
The molecular weight of Methanone, [4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl](4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)- is 402.2341 g/mol.
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