1,2,4,5-四嗪-3,6-二甲酸
TL;DR: 1,2,4,5-四嗪-3,6-二甲酸 (CAS 117943-07-4) is a chemical compound with molecular formula C4H2N4O4 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-四嗪-3,6-二甲酸
1,2,4,5-tetrazine-3,6-dicarboxylic acid
Also Known As: 1,2,4,5-tetrazine-3,6-dicarboxylic acid, DCTZ, [1,2,4,5]tetrazine-3,6-dicarboxylic acid, 1,2,4,5-tetraazine-3,6-dicarboxylic acid, J1.589.729E
| Molecular Formula | C4H2N4O4 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0076 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 117943-07-4 |
|---|---|
| SMILES | C1(=NN=C(N=N1)C(=O)O)C(=O)O |
| InChIKey | AXOPFPWGMCWLBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4,5-四嗪-3,6-二甲酸 (CAS 117943-07-4), with molecular formula C4H2N4O4 and molecular weight 170.01 g/mol. IUPAC: 1,2,4,5-tetrazine-3,6-dicarboxylic acid.
Chemical Property Profile of 1,2,4,5-四嗪-3,6-二甲酸
Property Insights of 1,2,4,5-四嗪-3,6-二甲酸
The XLogP value of -1.7 indicates that 1,2,4,5-四嗪-3,6-二甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-四嗪-3,6-二甲酸. Following Lipinski's Rule of Five, 1,2,4,5-四嗪-3,6-二甲酸 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 1,2,4,5-四嗪-3,6-二甲酸?
The CAS number of 1,2,4,5-四嗪-3,6-二甲酸 is 117943-07-4.
What is the molecular formula of 1,2,4,5-四嗪-3,6-二甲酸?
The molecular formula of 1,2,4,5-四嗪-3,6-二甲酸 is C4H2N4O4.
What is the molecular weight of 1,2,4,5-四嗪-3,6-二甲酸?
The molecular weight of 1,2,4,5-四嗪-3,6-二甲酸 is 170.01 g/mol.
Where can I buy 1,2,4,5-四嗪-3,6-二甲酸?
You can request a quote for 1,2,4,5-四嗪-3,6-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-四嗪-3,6-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-四嗪-3,6-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.