3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate
TL;DR: 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate (CAS 89990-57-8) is a chemical compound with molecular formula C16H28N4O6 and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(diethylamino)ethyl]-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione;oxalic acid
Also Known As: 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate, 3-[2-(Diethylamino)ethyl]hexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dione oxalate, 3-[2-(diethylamino)ethyl]-2,4,7,8,9,10-hexahydropyridazino[1, 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dione oxalate, 3-(2-diethylaminoethyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione; oxalic acid
| Molecular Formula | C16H28N4O6 |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | -0.8346 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.2009 |
| Heavy Atoms | 26 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 89990-57-8 |
|---|---|
| SMILES | CCN(CC)CCN1CC(=O)N2CCCCN2C(=O)C1.C(=O)(C(=O)O)O |
| InChIKey | UJZKNJGEJFZYLJ-UHFFFAOYSA-N |
Product Overview
3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate (CAS 89990-57-8), with molecular formula C16H28N4O6 and molecular weight 372.20 g/mol. IUPAC: 3-[2-(diethylamino)ethyl]-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione;oxalic acid.
Chemical Property Profile of 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate
Property Insights of 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate
The XLogP value of -0.8346 indicates that 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate. Following Lipinski's Rule of Five, 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate 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 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate?
The CAS number of 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate is 89990-57-8.
What is the molecular formula of 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate?
The molecular formula of 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate is C16H28N4O6.
What is the molecular weight of 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate?
The molecular weight of 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate is 372.20 g/mol.
Where can I buy 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate?
You can request a quote for 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Diethylamino)ethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.