Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
TL;DR: Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate (CAS 68100-68-5) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
Also Known As: BAS 05421999, ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate, ethyl 4-(2-ethyl-4-oxoquinazolin-3(4H)-yl)benzoate, 4-(2-Ethyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid ethyl ester
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.1248 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 942.9783 |
Chemical Identifiers
| CAS Number | 68100-68-5 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)OCC |
Product Overview
Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate (CAS 68100-68-5), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate.
Chemical Property Profile of Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
Property Insights of Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
The XLogP value of 3.1248 indicates that Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate 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 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate has 0 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-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
The CAS number of Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate is 68100-68-5.
What is the molecular formula of Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
The molecular formula of Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate is C19H18N2O3.
What is the molecular weight of Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
The molecular weight of Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate is 322.13 g/mol.
Where can I buy Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
You can request a quote for Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)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-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.