Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 84160-40-7) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 01248524, Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate, (5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester, Ethyl2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate, ethyl 2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 84160-40-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)C |
| InChIKey | ORJVVXIRGUDCAZ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 84160-40-7), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: ethyl 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 6 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-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 84160-40-7.
What is the molecular formula of Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate is C13H14N2O3S.
What is the molecular weight of Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 278.07 g/mol.
Where can I buy Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((5-(p-tolyl)-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-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.