Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate
TL;DR: Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate (CAS 900331-07-9) is a chemical compound with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate
Also Known As: ChemDiv3_008987, IDI1_026897, ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate, BRD-K08912422-001-01-1, ethyl 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate
| Molecular Formula | C12H11FN2O3 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.9762 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.07536 |
| Heavy Atoms | 18 |
| Complexity | 536.5105 |
Chemical Identifiers
| CAS Number | 900331-07-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN=C(O1)CC2=CC=C(C=C2)F |
Product Overview
Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate (CAS 900331-07-9), with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol. IUPAC: ethyl 5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate.
Chemical Property Profile of Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate
Property Insights of Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate
The XLogP value of 1.9762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate 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 Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate?
The CAS number of Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate is 900331-07-9.
What is the molecular formula of Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate?
The molecular formula of Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate is C12H11FN2O3.
What is the molecular weight of Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate?
The molecular weight of Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate is 250.08 g/mol.
Where can I buy Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate?
You can request a quote for Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4-fluorobenzyl)-1,3,4-oxadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.