ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate
TL;DR: ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate (CAS 575467-30-0) is a chemical compound with molecular formula C18H22N2O6S and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(1-ethoxy-1-oxopropan-2-yl)sulfanyl-4-oxoquinazolin-3-yl]oxypropanoate
Also Known As: ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate, ethyl 2-[2-(1-ethoxy-1-oxopropan-2-yl)sulfanyl-4-oxoquinazolin-3-yl]oxypropanoate, ethyl 2-({3-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)propanoate
| Molecular Formula | C18H22N2O6S |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 394.11984 |
| Heavy Atoms | 27 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 575467-30-0 |
|---|---|
| SMILES | CCOC(=O)C(C)ON1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)OCC |
| InChIKey | JEYNGLBGNYFMQP-UHFFFAOYSA-N |
Product Overview
ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate (CAS 575467-30-0), with molecular formula C18H22N2O6S and molecular weight 394.12 g/mol. IUPAC: ethyl 2-[2-(1-ethoxy-1-oxopropan-2-yl)sulfanyl-4-oxoquinazolin-3-yl]oxypropanoate.
Chemical Property Profile of ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate
Property Insights of ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate
The XLogP value of 3.2 indicates that ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate. Following Lipinski's Rule of Five, ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate has 0 hydrogen bond donor(s) and 8 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 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
The CAS number of ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is 575467-30-0.
What is the molecular formula of ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
The molecular formula of ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is C18H22N2O6S.
What is the molecular weight of ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
The molecular weight of ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is 394.12 g/mol.
Where can I buy ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
You can request a quote for ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((3-((1-ethoxy-1-oxopropan-2-yl)oxy)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.