Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-
TL;DR: Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- (CAS 108635-34-3) is a chemical compound with molecular formula C23H16Br2N2O4S and molecular weight 573.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]benzoic acid
Also Known As: Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-, 2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]benzoic acid, 2-({[6,8-Dibromo-3-(2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}sulfanyl)benzoic acid, RefChem:326592
| Molecular Formula | C23H16Br2N2O4S |
|---|---|
| Molecular Weight | 573.92 g/mol |
| LogP | 5.9098 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 573.91974 |
| Heavy Atoms | 32 |
| Complexity | 1404.8934 |
Chemical Identifiers
| CAS Number | 108635-34-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CSC4=CC=CC=C4C(=O)O |
Product Overview
Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- (CAS 108635-34-3), with molecular formula C23H16Br2N2O4S and molecular weight 573.92 g/mol. IUPAC: 2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-
Property Insights of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-
The XLogP value of 5.9098 indicates that Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-. Following Lipinski's Rule of Five, Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-?
The CAS number of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- is 108635-34-3.
What is the molecular formula of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-?
The molecular formula of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- is C23H16Br2N2O4S.
What is the molecular weight of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-?
The molecular weight of Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- is 573.92 g/mol.
Where can I buy Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-?
You can request a quote for Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.