Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
TL;DR: Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate (CAS 2166-14-5) is a chemical compound with molecular formula C6H6N4O4 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
Also Known As: dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate, 3,6-dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate, 3,6-bis(methoxycarbonyl)-1,2,4,5-tetrazine, 3,6-dicarbomethoxy-1,2,4,5-tetrazine, dimethyl 1,2,4,5-tetrazine-3,6-dicarbonate
| Molecular Formula | C6H6N4O4 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.03891 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2166-14-5 |
|---|---|
| SMILES | COC(=O)C1=NN=C(N=N1)C(=O)OC |
| InChIKey | QODPSGGFQFBWME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate (CAS 2166-14-5), with molecular formula C6H6N4O4 and molecular weight 198.04 g/mol. IUPAC: dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate.
Chemical Property Profile of Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
Property Insights of Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
The XLogP value of -1.0 indicates that Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 1,2,4,5-tetrazine-3,6-dicarboxylate?
The CAS number of Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate is 2166-14-5.
What is the molecular formula of Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate?
The molecular formula of Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate is C6H6N4O4.
What is the molecular weight of Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate?
The molecular weight of Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate is 198.04 g/mol.
Where can I buy Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate?
You can request a quote for Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.