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Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate
TL;DR: Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate (CAS 28831-44-9) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetate
Also Known As: BAS 00718692, ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetate, AB00094818-01, AJ-292/11720080, ethyl 2-((3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 938.3021 |
Chemical Identifiers
| CAS Number | 28831-44-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 |
Product Overview
Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate (CAS 28831-44-9), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetate.
Chemical Property Profile of Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate
Property Insights of Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate
The XLogP value of 3.1 indicates that Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)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 [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate?
The CAS number of Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate is 28831-44-9.
What is the molecular formula of Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate?
The molecular formula of Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate is C19H18N2O3S.
What is the molecular weight of Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate?
The molecular weight of Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate is 354.10 g/mol.
Where can I buy Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate?
You can request a quote for Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)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 [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(3-benzyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.