Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate
TL;DR: Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate (CAS 50872-78-1) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-methyl-1-oxidopyridazin-1-ium-4-yl)methanimidate
Also Known As: Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate, ethyl N-(3-methyl-1-oxidopyridazin-1-ium-4-yl)methanimidate
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 59.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 50872-78-1 |
|---|---|
| SMILES | CCOC=NC1=C(N=[N+](C=C1)[O-])C |
| InChIKey | VTWOELGLJJUFII-UHFFFAOYSA-N |
Product Overview
Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate (CAS 50872-78-1), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: ethyl N-(3-methyl-1-oxidopyridazin-1-ium-4-yl)methanimidate.
Chemical Property Profile of Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate
Property Insights of Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate. With a topological polar surface area (TPSA) of 59.9 Ų, Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate has 0 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 Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate?
The CAS number of Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate is 50872-78-1.
What is the molecular formula of Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate?
The molecular formula of Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate is C8H11N3O2.
What is the molecular weight of Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate?
The molecular weight of Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate is 181.09 g/mol.
Where can I buy Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate?
You can request a quote for Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-methyl-1-oxo-1lambda~5~-pyridazin-4-yl)methanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.