3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid
TL;DR: 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid (CAS 309940-71-4) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 3-Benzyl-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid, 3-benzyl-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid, 3-benzyl-4-oxo-2-sulfanyl-3,4-dihydro-7-quinazolinecarboxylic acid, 3-Benzyl-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylicacid
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.80559 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 974.08777 |
Chemical Identifiers
| CAS Number | 309940-71-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S |
Product Overview
3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid (CAS 309940-71-4), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid
Property Insights of 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid
The XLogP value of 2.80559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid. Following Lipinski's Rule of Five, 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-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-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid?
The CAS number of 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid is 309940-71-4.
What is the molecular formula of 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid?
The molecular formula of 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid is C16H12N2O3S.
What is the molecular weight of 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid?
The molecular weight of 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid is 312.06 g/mol.
Where can I buy 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid?
You can request a quote for 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-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-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.