4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
TL;DR: 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 422271-07-6) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 4-oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, 2-mercapto-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxylic acid, 4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid, 4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid, 4-oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylicacid
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.99999 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 990.1314 |
Chemical Identifiers
| CAS Number | 422271-07-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S |
Product Overview
4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 422271-07-6), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
Property Insights of 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
The XLogP value of 2.99999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-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 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The CAS number of 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 422271-07-6.
What is the molecular formula of 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular formula of 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is C17H14N2O3S.
What is the molecular weight of 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular weight of 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 326.07 g/mol.
Where can I buy 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
You can request a quote for 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-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 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-3-(2-phenylethyl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.