Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 337354-49-1) is a chemical compound with molecular formula C12H11ClN2O3S and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 01269277, Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, [5-(2-Chloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester, Ethyl2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C12H11ClN2O3S |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.01788 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 337354-49-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)C2=CC=CC=C2Cl |
| InChIKey | JTIZGGBSKQSBOD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 337354-49-1), with molecular formula C12H11ClN2O3S and molecular weight 298.02 g/mol. IUPAC: ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 3.2 indicates that Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((5-(2-chlorophenyl)-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-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 337354-49-1.
What is the molecular formula of Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is C12H11ClN2O3S.
What is the molecular weight of Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 298.02 g/mol.
Where can I buy Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((5-(2-chlorophenyl)-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-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.