1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea
TL;DR: 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea (CAS 131624-39-0) is a chemical compound with molecular formula C21H15ClN4OS and molecular weight 406.06552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)thiourea
Also Known As: NCI60_018778, J1.178.845I, 1-(4-chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea, 1-(4-chlorophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)thiourea, Thiourea, N-(4-chlorophenyl)-N'-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-
Technical Specifications
| Molecular Formula | C21H15ClN4OS |
| Molecular Weight | 406.06552 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.06552 Da |
| Heavy Atoms | 28 |
| Complexity | 614.0 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC=C(C=C4)Cl |
| InChIKey | LXBVXPNYDRMULD-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea
Property Insights of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea
The XLogP value of 4.7 indicates that 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea?
The CAS number of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea is 131624-39-0.
What is the molecular formula of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea?
The molecular formula of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea is C21H15ClN4OS.
What is the molecular weight of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea?
The molecular weight of 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea is 406.06552 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea?
You can request a quote for 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.