3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one
TL;DR: 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one (CAS 677015-38-2) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one, 3-(2-hydroxy-2-phenyl-ethyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(2-HYDROXY-2-PHENYLETHYL)-2-SULFANYL-4(3H)-QUINAZOLINONE, 3-(2-hydroxy-2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.79269 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 883.9127 |
Chemical Identifiers
| CAS Number | 677015-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CN2C(=O)C3=CC=CC=C3NC2=S)O |
Product Overview
3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one (CAS 677015-38-2), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 3-(2-hydroxy-2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one
Property Insights of 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one
The XLogP value of 2.79269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 58.02 Ų, 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one 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-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
The CAS number of 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one is 677015-38-2.
What is the molecular formula of 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
The molecular formula of 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one is C16H14N2O2S.
What is the molecular weight of 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
The molecular weight of 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one is 298.08 g/mol.
Where can I buy 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
You can request a quote for 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-hydroxy-2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.