TL;DR: ORG 13011 (CAS 142494-12-0) is a chemical compound with molecular formula C18H25F3N4O and molecular weight 370.19806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butyl]pyrrolidin-2-one
Also Known As: ORG 13011, 2-Pyrrolidinone, 1-(4-(4-(4-(trifluoromethyl)-2-pyridinyl)-1-piperazinyl)butyl)-, J1.232.086H, 1-(4-(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)butyl)pyrrolidin-2-one, 1-(4-(4-(4-(Trifluoromethyl)-2-pyridinyl)-1-piperazinyl)butyl)-2-pyrrolidinone
| Molecular Formula | C18H25F3N4O |
| Molecular Weight | 370.19806 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 39.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.19806 Da |
| Heavy Atoms | 26 |
| Complexity | 466.0 |
| SMILES | C1CC(=O)N(C1)CCCCN2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F |
| InChIKey | YKJJCYZZWWSBEW-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ORG 13011. With a topological polar surface area (TPSA) of 39.7 Ų, ORG 13011 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ORG 13011 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ORG 13011 is 142494-12-0.
The molecular formula of ORG 13011 is C18H25F3N4O.
The molecular weight of ORG 13011 is 370.19806 g/mol.
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