Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 139980-80-6) is a chemical compound with molecular formula C11H10N2O4S and molecular weight 266.03613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 01556233, Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, Methyl2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, [5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid methyl ester, Acetic acid, [[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-, methylester
Technical Specifications
| Molecular Formula | C11H10N2O4S |
| Molecular Weight | 266.03613 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.03613 Da |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
| SMILES | COC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)O |
| InChIKey | PNYSNUJGMFLMDL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 139980-80-6.
What is the molecular formula of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is C11H10N2O4S.
What is the molecular weight of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 266.03613 g/mol.
Where can I buy Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.