Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate
TL;DR: Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate (CAS 1023531-82-9) is a chemical compound with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]benzoate
Also Known As: ETHYL 4-((4-BROMO-2-METHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-3-YL)METHOXY)BENZOATE, ethyl 4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]benzoate, Ethyl 4-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]benzoate, ethyl 4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]benzoate
| Molecular Formula | C20H19BrN2O4 |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 3.6942 |
| Topological Polar Surface Area | 62.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.05283 |
| Heavy Atoms | 27 |
| Complexity | 991.31635 |
Chemical Identifiers
| CAS Number | 1023531-82-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br |
Product Overview
Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate (CAS 1023531-82-9), with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol. IUPAC: ethyl 4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]benzoate.
Chemical Property Profile of Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate
Property Insights of Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate
The XLogP value of 3.6942 indicates that Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate 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 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate?
The CAS number of Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate is 1023531-82-9.
What is the molecular formula of Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate?
The molecular formula of Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate is C20H19BrN2O4.
What is the molecular weight of Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate?
The molecular weight of Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate is 430.05 g/mol.
Where can I buy Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate?
You can request a quote for Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-YL)methoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.