![4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid structure](/static/products/5938/5938-20-5.webp)
4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid
TL;DR: 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid (CAS 5938-20-5) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]benzoic acid
Also Known As: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]benzoic Acid, 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid, 4-[(4-Oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)amino]benzoic acid
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 2.63249 |
| Topological Polar Surface Area | 87.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 973.7295 |
Chemical Identifiers
| CAS Number | 5938-20-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid (CAS 5938-20-5), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]benzoic acid.
Chemical Property Profile of 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid
Property Insights of 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid
The XLogP value of 2.63249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid. The TPSA of 87.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid has 3 hydrogen bond donor(s) and 4 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 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid?
The CAS number of 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid is 5938-20-5.
What is the molecular formula of 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid?
The molecular formula of 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid is C15H11N3O3S.
What is the molecular weight of 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid?
The molecular weight of 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid is 313.05 g/mol.
Where can I buy 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid?
You can request a quote for 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.