ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate
TL;DR: ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate (CAS 666751-38-8) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)benzoate
Also Known As: ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate, AP-409/40760071, ethyl 4-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)benzoate
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.31062 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 609.7528 |
Chemical Identifiers
| CAS Number | 666751-38-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)OC(=N2)C |
Product Overview
ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate (CAS 666751-38-8), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: ethyl 4-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)benzoate.
Chemical Property Profile of ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate
Property Insights of ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate
The XLogP value of 1.31062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate. The TPSA of 74.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate 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 ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate?
The CAS number of ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate is 666751-38-8.
What is the molecular formula of ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate?
The molecular formula of ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate is C12H12N2O4.
What is the molecular weight of ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate?
The molecular weight of ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate is 248.08 g/mol.
Where can I buy ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate?
You can request a quote for ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl4-(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.