3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
TL;DR: 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 438574-40-4) is a chemical compound with molecular formula C15H9FN2O3S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 3-(4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, 3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid, 3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid, 3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid, 3-(4-fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
| Molecular Formula | C15H9FN2O3S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.88559 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0318 |
| Heavy Atoms | 22 |
| Complexity | 1005.95667 |
Chemical Identifiers
| CAS Number | 438574-40-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)F |
Product Overview
3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 438574-40-4), with molecular formula C15H9FN2O3S and molecular weight 316.03 g/mol. IUPAC: 3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
Property Insights of 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
The XLogP value of 2.88559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-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 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The CAS number of 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 438574-40-4.
What is the molecular formula of 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular formula of 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is C15H9FN2O3S.
What is the molecular weight of 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular weight of 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 316.03 g/mol.
Where can I buy 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
You can request a quote for 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-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 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.