4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid
TL;DR: 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid (CAS 34330-07-9) is a chemical compound with molecular formula C14H10N2O4S2 and molecular weight 334.01 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)benzenesulfonic acid
Also Known As: EINECS 251-942-6, 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonic acid, 4-(4-Oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)benzenesulfonic acid, 4-(1,4-DIHYDRO-4-OXO-2-THIOXO-3(2H)-QUINAZOLINYL)BENZENESULFONIC ACID, 4-(1,4-dihydro-4-oxo-2-thioxo-3 benzenesulphonicacid
| Molecular Formula | C14H10N2O4S2 |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 2.29499 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.0082 |
| Heavy Atoms | 22 |
| Complexity | 1080.2662 |
Chemical Identifiers
| CAS Number | 34330-07-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)S(=O)(=O)O |
Product Overview
4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid (CAS 34330-07-9), with molecular formula C14H10N2O4S2 and molecular weight 334.01 g/mol. IUPAC: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonic acid.
Chemical Property Profile of 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid
Property Insights of 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid
The XLogP value of 2.29499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid. Following Lipinski's Rule of Five, 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid has 2 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)benzenesulfonic acid?
The CAS number of 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid is 34330-07-9.
What is the molecular formula of 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid?
The molecular formula of 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid is C14H10N2O4S2.
What is the molecular weight of 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid?
The molecular weight of 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid is 334.01 g/mol.
Where can I buy 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid?
You can request a quote for 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic 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)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.