Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate
TL;DR: Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate (CAS 53278-76-5) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate
Also Known As: BAS 00718687, ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate, ethyl 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate, ethyl 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate, (3-Allyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.2377 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 724.4208 |
Chemical Identifiers
| CAS Number | 53278-76-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C |
Product Overview
Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate (CAS 53278-76-5), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: ethyl 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate
Property Insights of Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate
The XLogP value of 2.2377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate has 0 hydrogen bond donor(s) and 5 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 Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate?
The CAS number of Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate is 53278-76-5.
What is the molecular formula of Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate?
The molecular formula of Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate is C15H16N2O3S.
What is the molecular weight of Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate?
The molecular weight of Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate is 304.09 g/mol.
Where can I buy Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate?
You can request a quote for Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-oxo-3-prop-2-enyl-3-hydroquinazolin-2-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.