3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid
TL;DR: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid (CAS 65141-66-4) is a chemical compound with molecular formula C15H10N2O3S and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid
Also Known As: VU0113076-2, 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid, 3-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)benzoic acid, F3168-1656, 3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzoic acid
| Molecular Formula | C15H10N2O3S |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 2.74649 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0412 |
| Heavy Atoms | 21 |
| Complexity | 972.30493 |
Chemical Identifiers
| CAS Number | 65141-66-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid (CAS 65141-66-4), with molecular formula C15H10N2O3S and molecular weight 298.04 g/mol. IUPAC: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid.
Chemical Property Profile of 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid
Property Insights of 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid
The XLogP value of 2.74649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid. Following Lipinski's Rule of Five, 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic 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-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid?
The CAS number of 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid is 65141-66-4.
What is the molecular formula of 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid?
The molecular formula of 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid is C15H10N2O3S.
What is the molecular weight of 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid?
The molecular weight of 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid is 298.04 g/mol.
Where can I buy 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid?
You can request a quote for 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic 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-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.