(4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
TL;DR: (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester (CAS 352659-44-0) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetate
Also Known As: IFLab1_004239, IDI1_009994, BAS 02101298, AB00479872-08, ethyl [(4,7-dimethyl-2-quinazolinyl)thio]acetate
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 352659-44-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=C2C=CC(=CC2=N1)C)C |
| InChIKey | LCSIWVNMZNMUFI-UHFFFAOYSA-N |
Product Overview
(4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester (CAS 352659-44-0), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: ethyl 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetate.
Chemical Property Profile of (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
Property Insights of (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
The XLogP value of 3.4 indicates that (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester 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 (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester?
The CAS number of (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester is 352659-44-0.
What is the molecular formula of (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular formula of (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester is C14H16N2O2S.
What is the molecular weight of (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular weight of (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester is 276.09 g/mol.
Where can I buy (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester?
You can request a quote for (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4,7-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.