4-bromo-5-ethoxy-3-methyl-1H-pyrazole
TL;DR: 4-bromo-5-ethoxy-3-methyl-1H-pyrazole (CAS 13246-95-2) is a chemical compound with molecular formula C6H9BrN2O and molecular weight 203.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-ethoxy-5-methyl-1H-pyrazole
Also Known As: 4-bromo-3-ethoxy-5-methyl-1H-pyrazole, 4-bromo-5-ethoxy-3-methyl-1H-pyrazole, 3-ethoxy-4-bromo-5-methyl-1H-pyrazole, 4-bromo-3-(ethyloxy)-5-methyl-1H-pyrazole, 1H-Pyrazole,4-bromo-5-ethoxy-3-methyl-(9CI)
| Molecular Formula | C6H9BrN2O |
|---|---|
| Molecular Weight | 203.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.98982 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 13246-95-2 |
|---|---|
| SMILES | CCOC1=NNC(=C1Br)C |
| InChIKey | JGEFVMSUMVPALJ-UHFFFAOYSA-N |
Product Overview
4-bromo-5-ethoxy-3-methyl-1H-pyrazole (CAS 13246-95-2), with molecular formula C6H9BrN2O and molecular weight 203.99 g/mol. IUPAC: 4-bromo-3-ethoxy-5-methyl-1H-pyrazole.
Chemical Property Profile of 4-bromo-5-ethoxy-3-methyl-1H-pyrazole
Property Insights of 4-bromo-5-ethoxy-3-methyl-1H-pyrazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-5-ethoxy-3-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 37.9 Ų, 4-bromo-5-ethoxy-3-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-5-ethoxy-3-methyl-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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 4-bromo-5-ethoxy-3-methyl-1H-pyrazole?
The CAS number of 4-bromo-5-ethoxy-3-methyl-1H-pyrazole is 13246-95-2.
What is the molecular formula of 4-bromo-5-ethoxy-3-methyl-1H-pyrazole?
The molecular formula of 4-bromo-5-ethoxy-3-methyl-1H-pyrazole is C6H9BrN2O.
What is the molecular weight of 4-bromo-5-ethoxy-3-methyl-1H-pyrazole?
The molecular weight of 4-bromo-5-ethoxy-3-methyl-1H-pyrazole is 203.99 g/mol.
Where can I buy 4-bromo-5-ethoxy-3-methyl-1H-pyrazole?
You can request a quote for 4-bromo-5-ethoxy-3-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-5-ethoxy-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-5-ethoxy-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.