3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
TL;DR: 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 790271-23-7) is a chemical compound with molecular formula C15H8ClFN2O3S and molecular weight 349.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, 3-(3-chloro-4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid, 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid, 3-(3-chloro-4-fluoro-phenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid, 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylicacid
| Molecular Formula | C15H8ClFN2O3S |
|---|---|
| Molecular Weight | 349.99 g/mol |
| LogP | 3.53899 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.99283 |
| Heavy Atoms | 23 |
| Complexity | 1074.4856 |
Chemical Identifiers
| CAS Number | 790271-23-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl |
Product Overview
3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 790271-23-7), with molecular formula C15H8ClFN2O3S and molecular weight 349.99 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
Property Insights of 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
The XLogP value of 3.53899 indicates that 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-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 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid. Following Lipinski's Rule of Five, 3-(3-chloro-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-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The CAS number of 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 790271-23-7.
What is the molecular formula of 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular formula of 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is C15H8ClFN2O3S.
What is the molecular weight of 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular weight of 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 349.99 g/mol.
Where can I buy 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
You can request a quote for 3-(3-chloro-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-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-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.