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Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate
TL;DR: Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate (CAS 40198-28-5) is a chemical compound with molecular formula C19H17NO3S and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetate
Also Known As: BAS 01127622, ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate, ethyl 2-(4,5-diphenyloxazol-2-ylthio)acetate, ethyl S-(4,5-diphenyloxazol-2-yl)-mercaptoacetate, ethyl 2-(4,5-diphenyl-1,3-oxazol-2-ylthio)acetate
| Molecular Formula | C19H17NO3S |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.09293 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 40198-28-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | LPFNYZLGCZCARW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate (CAS 40198-28-5), with molecular formula C19H17NO3S and molecular weight 339.09 g/mol. IUPAC: ethyl 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate
Property Insights of Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate
The XLogP value of 4.8 indicates that Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate. Following Lipinski's Rule of Five, Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]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 [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate?
The CAS number of Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate is 40198-28-5.
What is the molecular formula of Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate?
The molecular formula of Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate is C19H17NO3S.
What is the molecular weight of Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate?
The molecular weight of Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate is 339.09 g/mol.
Where can I buy Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate?
You can request a quote for Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.