Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
TL;DR: Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate (CAS 3787-10-8) is a chemical compound with molecular formula C6H8N4O4 and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
Also Known As: dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate, 3,6-dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate, 1,4-Dihydro 1,2,4,5-tetrazine-3,6-dicarboxylic acid dimethyl ester, Actinomycin D, 3(A)(or 3(B))-(cis-4-chloro-L-proline)-, dimethyl1,4-dihydro-1,2,4,5-tetraazine-3,6-dicarboxylate
| Molecular Formula | C6H8N4O4 |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | -1.8478 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.05455 |
| Heavy Atoms | 14 |
| Complexity | 289.79318 |
Chemical Identifiers
| CAS Number | 3787-10-8 |
|---|---|
| SMILES | COC(=O)C1=NNC(=NN1)C(=O)OC |
Product Overview
Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate (CAS 3787-10-8), with molecular formula C6H8N4O4 and molecular weight 200.05 g/mol. IUPAC: dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate.
Chemical Property Profile of Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
Property Insights of Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
The XLogP value of -1.8478 indicates that Dimethyl 1,4-dihydro-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 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate has 2 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 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate?
The CAS number of Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate is 3787-10-8.
What is the molecular formula of Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate?
The molecular formula of Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate is C6H8N4O4.
What is the molecular weight of Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate?
The molecular weight of Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate is 200.05 g/mol.
Where can I buy Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate?
You can request a quote for Dimethyl 1,4-dihydro-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 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.