![Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate structure](/static/products/3619/361999-25-9.webp)
Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate
TL;DR: Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate (CAS 361999-25-9) is a chemical compound with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4,6,7-trimethylquinazolin-2-yl)sulfanylpropanoate
Also Known As: BAS 02101287, ethyl 3-((4,6,7-trimethylquinazolin-2-yl)thio)propanoate, ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate, ethyl 3-(4,6,7-trimethylquinazolin-2-ylthio)propanoate, ethyl 3-(4,6,7-trimethylquinazolin-2-yl)sulfanylpropanoate
| Molecular Formula | C16H20N2O2S |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.12454 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 361999-25-9 |
|---|---|
| SMILES | CCOC(=O)CCSC1=NC(=C2C=C(C(=CC2=N1)C)C)C |
| InChIKey | SJKCLIUERSCZAI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate (CAS 361999-25-9), with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol. IUPAC: ethyl 3-(4,6,7-trimethylquinazolin-2-yl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate
Property Insights of Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate
The XLogP value of 3.7 indicates that Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate 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 Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate 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 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate?
The CAS number of Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate is 361999-25-9.
What is the molecular formula of Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate?
The molecular formula of Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate is C16H20N2O2S.
What is the molecular weight of Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate?
The molecular weight of Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate is 304.12 g/mol.
Where can I buy Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate?
You can request a quote for Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.