![Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate structure](/static/products/874/87439-50-7.png)
Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate
TL;DR: Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate (CAS 87439-50-7) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoate
Also Known As: AF-399/41532921, ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate, ethyl 4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoate, ethyl 4-(4-oxo-3-phenyl-3-hydroquinazolin-2-ylthio)butanoate, ethyl 4-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)butanoate
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 3.8211 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 954.17755 |
Chemical Identifiers
| CAS Number | 87439-50-7 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3 |
Product Overview
Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate (CAS 87439-50-7), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: ethyl 4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoate.
Chemical Property Profile of Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate
Property Insights of Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate
The XLogP value of 3.8211 indicates that Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate 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-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate 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 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate?
The CAS number of Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate is 87439-50-7.
What is the molecular formula of Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate?
The molecular formula of Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate is C20H20N2O3S.
What is the molecular weight of Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate?
The molecular weight of Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate is 368.12 g/mol.
Where can I buy Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate?
You can request a quote for Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.