TL;DR: 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 497248-81-4) is a chemical compound with molecular formula C25H23ClN2O3 and molecular weight 434.1397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(2-chloro-4-methylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4-one
Also Known As: 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one, 3-[3-(2-chloro-4-methyl-phenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4-one, 3-[3-(2-chloro-4-methylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one, 3-[3-(2-chloro-4-methylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4-one
| Molecular Formula | C25H23ClN2O3 |
| Molecular Weight | 434.1397 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.1397 Da |
| Heavy Atoms | 31 |
| Complexity | 634.0 |
| SMILES | CC1=CC(=C(C=C1)OCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC)Cl |
| InChIKey | CPFRMLMRVMKNCB-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is 497248-81-4.
The molecular formula of 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is C25H23ClN2O3.
The molecular weight of 3-(3-(2-chloro-4-methylphenoxy)propyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is 434.1397 g/mol.
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