TL;DR: RefChem:283798 (CAS 61555-02-0) is a chemical compound with molecular formula C19H19BrN4OS and molecular weight 430.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-(2-methylphenyl)quinazolin-4-one;hydrobromide
Also Known As: 4(3H)-Quinazolinone, 2-((2-imidazolin-2-ylthio)methyl)-3-o-tolyl-, monohydrobromide, 2-((2-Imidazolin-2-ylthio)methyl)-3-o-tolyl-4(3H)-quinazolinone monohydrobromide, 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-(2-methylphenyl)quinazolin-4-one hydrobromide, 2-{[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]methyl}-3-(2-methylphenyl)quinazolin-4(3H)-one--hydrogen bromide (1/1)
| Molecular Formula | C19H19BrN4OS |
| Molecular Weight | 430.0463 g/mol |
| XLogP | 3.46 |
| Topological Polar Surface Area (TPSA) | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.0463 Da |
| Heavy Atoms | 26 |
| Complexity | 576.0 |
| SMILES | CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NCCN4.Br |
| InChIKey | CTSKCSUQIDOGAL-UHFFFAOYSA-N |
The XLogP value of 3.46 indicates that RefChem:283798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283798. Following Lipinski's Rule of Five, RefChem:283798 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:283798 is 61555-02-0.
The molecular formula of RefChem:283798 is C19H19BrN4OS.
The molecular weight of RefChem:283798 is 430.0463 g/mol.
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