![methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate structure](/static/products/922/922879-75-2.png)
methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate
TL;DR: methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate (CAS 922879-75-2) is a chemical compound with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetate
Also Known As: EiM08-15731, methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate, Methyl 2-(3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl)acetate, methyl 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]acetate, methyl 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetate
| Molecular Formula | C13H11BrN2O3 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 1.8458 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.9953 |
| Heavy Atoms | 19 |
| Complexity | 649.68304 |
Chemical Identifiers
| CAS Number | 922879-75-2 |
|---|---|
| SMILES | COC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Br |
Product Overview
methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate (CAS 922879-75-2), with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol. IUPAC: methyl 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetate.
Chemical Property Profile of methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate
Property Insights of methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate
The XLogP value of 1.8458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate. Following Lipinski's Rule of Five, methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-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 methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate?
The CAS number of methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate is 922879-75-2.
What is the molecular formula of methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate?
The molecular formula of methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate is C13H11BrN2O3.
What is the molecular weight of methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate?
The molecular weight of methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate is 322.00 g/mol.
Where can I buy methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate?
You can request a quote for methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.