Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate
TL;DR: Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate (CAS 65423-00-9) is a chemical compound with molecular formula C6H6N2O5 and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate
Also Known As: ZERO/008400, dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate, furazan-3,4-dicarboxylic acid dimethyl ester, 1,2,5-Oxadiazole-3,4-dicarboxylic acid, 3,4-dimethyl ester, 3,4-dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate
| Molecular Formula | C6H6N2O5 |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | -0.3572 |
| Topological Polar Surface Area | 91.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.02766 |
| Heavy Atoms | 13 |
| Complexity | 301.02054 |
Chemical Identifiers
| CAS Number | 65423-00-9 |
|---|---|
| SMILES | COC(=O)C1=NON=C1C(=O)OC |
Product Overview
Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate (CAS 65423-00-9), with molecular formula C6H6N2O5 and molecular weight 186.03 g/mol. IUPAC: dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate.
Chemical Property Profile of Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate
Property Insights of Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate
The XLogP value of -0.3572 indicates that Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate 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 Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
The CAS number of Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate is 65423-00-9.
What is the molecular formula of Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
The molecular formula of Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate is C6H6N2O5.
What is the molecular weight of Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
The molecular weight of Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate is 186.03 g/mol.
Where can I buy Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
You can request a quote for Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,2,5-oxadiazole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.