Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester
TL;DR: Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester (CAS 155104-12-4) is a chemical compound with molecular formula C19H15BrN2O6S and molecular weight 477.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid
Also Known As: Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester, [({6-Bromo-3-[3-hydroxy-4-(methoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]acetic acid, 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid, RefChem:327456
| Molecular Formula | C19H15BrN2O6S |
|---|---|
| Molecular Weight | 477.98 g/mol |
| LogP | 2.9582 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.98343 |
| Heavy Atoms | 29 |
| Complexity | 1177.3085 |
Chemical Identifiers
| CAS Number | 155104-12-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCC(=O)O)O |
Product Overview
Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester (CAS 155104-12-4), with molecular formula C19H15BrN2O6S and molecular weight 477.98 g/mol. IUPAC: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid.
Chemical Property Profile of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester
Property Insights of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester
The XLogP value of 2.9582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester?
The CAS number of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester is 155104-12-4.
What is the molecular formula of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester?
The molecular formula of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester is C19H15BrN2O6S.
What is the molecular weight of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester?
The molecular weight of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester is 477.98 g/mol.
Where can I buy Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester?
You can request a quote for Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.