TL;DR: RefChem:283775 (CAS 95833-42-4) is a chemical compound with molecular formula C24H21ClIN3O2 and molecular weight 545.0367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(4-chlorophenyl)ethylamino]methyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 2-(((2-(4-chlorophenyl)ethyl)amino)methyl)-6-iodo-3-(4-methoxyphenyl)-, 2-(((2-(4-Chlorophenyl)ethyl)amino)methyl)-6-iodo-3-(4-methoxyphenyl)-4(3H)-quinazolinone, 2-({[2-(4-Chlorophenyl)ethyl]amino}methyl)-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one, 2-[[2-(4-chlorophenyl)ethylamino]methyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one, BRN 5652095
| Molecular Formula | C24H21ClIN3O2 |
| Molecular Weight | 545.0367 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.0367 Da |
| Heavy Atoms | 31 |
| Complexity | 632.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CNCCC4=CC=C(C=C4)Cl |
| InChIKey | LAGIBVCCPVCIDJ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that RefChem:283775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.9 Ų, RefChem:283775 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283775 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:283775 is 95833-42-4.
The molecular formula of RefChem:283775 is C24H21ClIN3O2.
The molecular weight of RefChem:283775 is 545.0367 g/mol.
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