Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate
TL;DR: Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate (CAS 65141-65-3) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
Also Known As: Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate, ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate, Benzoic acid, 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-, ethyl ester, Ethyl 4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoate, ETHYL 4-(4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)BENZOATE
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 3.22499 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 987.1314 |
Chemical Identifiers
| CAS Number | 65141-65-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate (CAS 65141-65-3), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate.
Chemical Property Profile of Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate
Property Insights of Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate
The XLogP value of 3.22499 indicates that Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate has 1 hydrogen bond donor(s) and 4 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 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate?
The CAS number of Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate is 65141-65-3.
What is the molecular formula of Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate?
The molecular formula of Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate is C17H14N2O3S.
What is the molecular weight of Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate?
The molecular weight of Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate is 326.07 g/mol.
Where can I buy Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate?
You can request a quote for Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.