![Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate structure](/static/products/2883/28831-45-0.webp)
Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
TL;DR: Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate (CAS 28831-45-0) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
Also Known As: BAS 00718685, ethyl 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate, ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate, ethyl 2-(3-methyl-4-oxo-3-hydroquinazolin-2-ylthio)acetate, ethyl [(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 28831-45-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C |
| InChIKey | NLWRMXZMPLKRDM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate (CAS 28831-45-0), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: ethyl 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
Property Insights of Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]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-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate?
The CAS number of Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate is 28831-45-0.
What is the molecular formula of Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate?
The molecular formula of Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate is C13H14N2O3S.
What is the molecular weight of Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate?
The molecular weight of Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate is 278.07 g/mol.
Where can I buy Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate?
You can request a quote for Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]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-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.