Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate
TL;DR: Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate (CAS 339096-91-2) is a chemical compound with molecular formula C7H11N3O4 and molecular weight 201.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-carbamoyl-6-oxodiazinane-4-carboxylate
Also Known As: methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate, methyl 2-carbamoyl-6-oxodiazinane-4-carboxylate, methyl 2-carbamoyl-6-oxo-1,2-diazinane-4-carboxylate, 8H-016, Methyl 2-carbamoyl-6-oxo-diazinane-4-carboxylate
| Molecular Formula | C7H11N3O4 |
|---|---|
| Molecular Weight | 201.07 g/mol |
| LogP | -1.4088 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.07495 |
| Heavy Atoms | 14 |
| Complexity | 278.10846 |
Chemical Identifiers
| CAS Number | 339096-91-2 |
|---|---|
| SMILES | COC(=O)C1CC(=O)NN(C1)C(=O)N |
Product Overview
Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate (CAS 339096-91-2), with molecular formula C7H11N3O4 and molecular weight 201.07 g/mol. IUPAC: methyl 2-carbamoyl-6-oxodiazinane-4-carboxylate.
Chemical Property Profile of Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate
Property Insights of Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate
The XLogP value of -1.4088 indicates that Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate has 2 hydrogen bond donor(s) and 4 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 Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
The CAS number of Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate is 339096-91-2.
What is the molecular formula of Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
The molecular formula of Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate is C7H11N3O4.
What is the molecular weight of Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
The molecular weight of Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate is 201.07 g/mol.
Where can I buy Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
You can request a quote for Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(aminocarbonyl)-6-oxohexahydro-4-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.