TL;DR: Jtv-519 free base (CAS 145903-06-6) is a chemical compound with molecular formula C25H32N2O2S and molecular weight 424.21844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one
Also Known As: K201 free base, Jtv-519 free base, JTV519 Hemifumarate, JTV-519 (free base), K201 (free base)
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C25H32N2O2S |
| Molecular Weight | 424.21844 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.21844 Da |
| Heavy Atoms | 30 |
| Complexity | 531.0 |
| SMILES | COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4 |
| InChIKey | KCWGETCFOVJEPI-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Jtv-519 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, Jtv-519 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Jtv-519 free base 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 Jtv-519 free base is 145903-06-6.
The molecular formula of Jtv-519 free base is C25H32N2O2S.
The molecular weight of Jtv-519 free base is 424.21844 g/mol.
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