TL;DR: Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)- (CAS 105271-36-1) is a chemical compound with molecular formula C24H21IN4O3S and molecular weight 572.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-3-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
Also Known As: Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)-, 1-[4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-3-methoxyphenyl]-3-(4-methoxyphenyl)thiourea, N-[4-(6-Iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)-3-methoxyphenyl]-N'-(4-methoxyphenyl)thiourea
| Molecular Formula | C24H21IN4O3S |
| Molecular Weight | 572.0379 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 572.0379 Da |
| Heavy Atoms | 33 |
| Complexity | 745.0 |
| SMILES | CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=C(C=C(C=C3)NC(=S)NC4=CC=C(C=C4)OC)OC |
| InChIKey | LRECGIUKAXPXLQ-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)-. Following Lipinski's Rule of Five, Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)- is 105271-36-1.
The molecular formula of Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)- is C24H21IN4O3S.
The molecular weight of Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-(4-methoxyphenyl)- is 572.0379 g/mol.
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