TL;DR: RefChem:909130 (CAS 139543-40-1) is a chemical compound with molecular formula C27H24ClN3O2 and molecular weight 457.1557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)quinazolin-4-one
Also Known As: LY 202769, LY 202,769, LY-202,769, 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)quinazolin-4-one, J2.792.870F
| Molecular Formula | C27H24ClN3O2 |
| Molecular Weight | 457.1557 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1557 Da |
| Heavy Atoms | 33 |
| Complexity | 728.0 |
| SMILES | CC(C)OC1=CC=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CCC4=CNC5=C4C=C(C=C5)Cl |
| InChIKey | DWDPCGQQNLAFEN-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that RefChem:909130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, RefChem:909130 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:909130 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:909130 is 139543-40-1.
The molecular formula of RefChem:909130 is C27H24ClN3O2.
The molecular weight of RefChem:909130 is 457.1557 g/mol.
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