TL;DR: DUP-734 free base (CAS 135135-80-7) is a chemical compound with molecular formula C17H22FNO and molecular weight 275.16855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone
Also Known As: DUP-734 free base, DuP 734, 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethan-1-one, 1-(4-Fluorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone, 2-[1-(cyclopropylmethyl)-4-piperidyl]-1-(4-fluorophenyl)ethanone
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H22FNO |
| Molecular Weight | 275.16855 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.16855 Da |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
| SMILES | C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)F |
| InChIKey | KWRMWQDKOGFMKP-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that DUP-734 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, DUP-734 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DUP-734 free base 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 DUP-734 free base is 135135-80-7.
The molecular formula of DUP-734 free base is C17H22FNO.
The molecular weight of DUP-734 free base is 275.16855 g/mol.
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