(2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid
TL;DR: (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid (CAS 1212412-75-3) 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.
(2S)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanoic acid
Also Known As: (2S)-2-(2-mercapto-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanoic acid, (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid, (2S)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanoic acid, 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-propanoic Acid, (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoicacid
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.92749 |
| 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 | 976.2902 |
Chemical Identifiers
| CAS Number | 1212412-75-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
(2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid (CAS 1212412-75-3), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: (2S)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanoic acid.
Chemical Property Profile of (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid
Property Insights of (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid
The XLogP value of 2.92749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic 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 (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid?
The CAS number of (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid is 1212412-75-3.
What is the molecular formula of (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid?
The molecular formula of (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid is C17H14N2O3S.
What is the molecular weight of (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid?
The molecular weight of (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid is 326.07 g/mol.
Where can I buy (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid?
You can request a quote for (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.