Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 84160-42-9) is a chemical compound with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 01862195, Ethyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetate, ETHYL 2-{[5-(4-METHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETATE, Acetic acid, 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-, ethyl ester, Ethyl {[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
| Molecular Formula | C13H14N2O4S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.0674 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 84160-42-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)OC |
| InChIKey | VKFQOWNJKYMGFW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 84160-42-9), with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol. IUPAC: ethyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 7 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-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 84160-42-9.
What is the molecular formula of Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is C13H14N2O4S.
What is the molecular weight of Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 294.07 g/mol.
Where can I buy Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-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 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.