![Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate structure](/static/products/100/100716-06-1.png)
Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate
TL;DR: Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate (CAS 100716-06-1) is a chemical compound with molecular formula C14H13BrN2O3 and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetate
Also Known As: ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate, ethyl 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetate, Ethyl 2-(3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl)acetate, 6-(4-bromophenyl)-2-ethoxycarbonylmethyl-2,3-dihydropyridazine-3-one, 6-(4-bromophenyl)-2-ethoxycarbonylmethyl-3(2H)-2,3-dihydropyridazin-3-one
| Molecular Formula | C14H13BrN2O3 |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 2.2359 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.01096 |
| Heavy Atoms | 20 |
| Complexity | 664.8644 |
Chemical Identifiers
| CAS Number | 100716-06-1 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Br |
Product Overview
Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate (CAS 100716-06-1), with molecular formula C14H13BrN2O3 and molecular weight 336.01 g/mol. IUPAC: ethyl 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetate.
Chemical Property Profile of Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate
Property Insights of Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate
The XLogP value of 2.2359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate 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 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate?
The CAS number of Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate is 100716-06-1.
What is the molecular formula of Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate?
The molecular formula of Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate is C14H13BrN2O3.
What is the molecular weight of Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate?
The molecular weight of Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate is 336.01 g/mol.
Where can I buy Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate?
You can request a quote for Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.