Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate
TL;DR: Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate (CAS 884982-97-2) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate
Also Known As: ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate, ethyl 3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate, 618B106, 1,2,4-Oxadiazole-5-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester, F5580-2948
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 1.642 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 622.33234 |
Chemical Identifiers
| CAS Number | 884982-97-2 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NO1)C2=CC3=C(C=C2)OCO3 |
Product Overview
Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate (CAS 884982-97-2), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate
Property Insights of Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate
The XLogP value of 1.642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate has 0 hydrogen bond donor(s) and 7 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 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate?
The CAS number of Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate is 884982-97-2.
What is the molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate?
The molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate is C12H10N2O5.
What is the molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate?
The molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate is 262.06 g/mol.
Where can I buy Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate?
You can request a quote for Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.