Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-
TL;DR: Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- (CAS 108635-40-1) is a chemical compound with molecular formula C22H13Br2ClN2O3S and molecular weight 577.87024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[6,8-dibromo-3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]benzoic acid
Also Known As: Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-, 2-[[6,8-dibromo-3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]benzoic acid, 2-({[6,8-Dibromo-3-(2-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}sulfanyl)benzoic acid
Technical Specifications
| Molecular Formula | C22H13Br2ClN2O3S |
| Molecular Weight | 577.87024 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.87024 Da |
| Heavy Atoms | 31 |
| Complexity | 727.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC2=NC3=C(C=C(C=C3Br)Br)C(=O)N2C4=CC=CC=C4Cl |
| InChIKey | DMWKCILBKSYFDN-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-
Property Insights of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-
The XLogP value of 6.2 indicates that Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-. Following Lipinski's Rule of Five, Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-?
The CAS number of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- is 108635-40-1.
What is the molecular formula of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-?
The molecular formula of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- is C22H13Br2ClN2O3S.
What is the molecular weight of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-?
The molecular weight of Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- is 577.87024 g/mol.
Where can I buy Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-?
You can request a quote for Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.