TL;DR: Luciferase-IN-4 (CAS 1020413-85-7) is a chemical compound with molecular formula C14H11ClN2O and molecular weight 258.056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-1-(4-chlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
Also Known As: Luciferase-IN-4, EX-A14074, AB00088432-01, (Z)-1-(4-chlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one, CID 5310655
| Molecular Formula | C14H11ClN2O |
| Molecular Weight | 258.056 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.056 Da |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
| SMILES | C1=CC=NC(=C1)N/C=C\C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | WXXHFZLFNUHSEB-NTMALXAHSA-N |
The XLogP value of 3.8 indicates that Luciferase-IN-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Luciferase-IN-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Luciferase-IN-4 has 1 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 Luciferase-IN-4 is 1020413-85-7.
The molecular formula of Luciferase-IN-4 is C14H11ClN2O.
The molecular weight of Luciferase-IN-4 is 258.056 g/mol.
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