Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate
TL;DR: Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate (CAS 94276-05-8) is a chemical compound with molecular formula C14H13N3O4S2 and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate
Also Known As: EINECS 304-494-1, Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate, Ammonium 4-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)benzenesulfonate, ammonium4-(1,4-dihydro-4-oxo-2-thioxo-3 benzenesulphonate, ammonium 4-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzene-1-sulfonate
| Molecular Formula | C14H13N3O4S2 |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 2.32859 |
| Topological Polar Surface Area | 131.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.03476 |
| Heavy Atoms | 23 |
| Complexity | 1083.4458 |
Chemical Identifiers
| CAS Number | 94276-05-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)S(=O)(=O)[O-].[NH4+] |
Product Overview
Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate (CAS 94276-05-8), with molecular formula C14H13N3O4S2 and molecular weight 351.03 g/mol. IUPAC: azanium 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate.
Chemical Property Profile of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate
Property Insights of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate
The XLogP value of 2.32859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate. The TPSA of 131.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate. Following Lipinski's Rule of Five, Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate has 2 hydrogen bond donor(s) and 5 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 Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate?
The CAS number of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate is 94276-05-8.
What is the molecular formula of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate?
The molecular formula of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate is C14H13N3O4S2.
What is the molecular weight of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate?
The molecular weight of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate is 351.03 g/mol.
Where can I buy Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate?
You can request a quote for Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.