2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
TL;DR: 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid (CAS 885460-71-9) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 3-(2-methylphenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, 2-mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid, 2-Mercapto-4-oxo-3-(o-tolyl)-3,4-dihydroquinazoline-7-carboxylic acid, 3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid, 3-(o-tolyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.05491 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 1017.81006 |
Chemical Identifiers
| CAS Number | 885460-71-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S |
Product Overview
2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid (CAS 885460-71-9), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: 3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
Property Insights of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
The XLogP value of 3.05491 indicates that 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid. Following Lipinski's Rule of Five, 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid 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
Frequently Asked Questions
What is the CAS number of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid?
The CAS number of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid is 885460-71-9.
What is the molecular formula of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular formula of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid is C16H12N2O3S.
What is the molecular weight of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular weight of 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid is 312.06 g/mol.
Where can I buy 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid?
You can request a quote for 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.