ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate
TL;DR: ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate (CAS 67817-95-2) is a chemical compound with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate
Also Known As: ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate, ethyl 3-amino-2-(3,6-dioxo-2H-pyridazin-1-yl)but-2-enoate, ethyl (Z)-3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 67817-95-2 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)N)N1C(=O)C=CC(=O)N1 |
| InChIKey | FOHYTEUULYUQBV-UHFFFAOYSA-N |
Product Overview
ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate (CAS 67817-95-2), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate.
Chemical Property Profile of ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate
Property Insights of ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate. Following Lipinski's Rule of Five, ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate has 2 hydrogen bond donor(s) and 5 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-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate?
The CAS number of ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate is 67817-95-2.
What is the molecular formula of ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate?
The molecular formula of ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate is C10H13N3O4.
What is the molecular weight of ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate?
The molecular weight of ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate is 239.09 g/mol.
Where can I buy ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate?
You can request a quote for ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-2-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.