1-Acetyl-4-bromopyrazole
TL;DR: 1-Acetyl-4-bromopyrazole (CAS 34985-88-1) is a chemical compound with molecular formula C5H5BrN2O and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromopyrazol-1-yl)ethanone
Also Known As: 1-acetyl-4-bromopyrazole, 1-(4-bromopyrazol-1-yl)ethanone, 1H-Pyrazole, 1-acetyl-4-bromo-, 1-(4-Bromo-1H-pyrazol-1-yl)ethan-1-one
| Molecular Formula | C5H5BrN2O |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 1.3057 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.95853 |
| Heavy Atoms | 9 |
| Complexity | 230.61679 |
Chemical Identifiers
| CAS Number | 34985-88-1 |
|---|---|
| SMILES | CC(=O)N1C=C(C=N1)Br |
Product Overview
1-Acetyl-4-bromopyrazole (CAS 34985-88-1), with molecular formula C5H5BrN2O and molecular weight 187.96 g/mol. IUPAC: 1-(4-bromopyrazol-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-4-bromopyrazole
Property Insights of 1-Acetyl-4-bromopyrazole
The XLogP value of 1.3057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-4-bromopyrazole. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Acetyl-4-bromopyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-4-bromopyrazole has 0 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 1-Acetyl-4-bromopyrazole?
The CAS number of 1-Acetyl-4-bromopyrazole is 34985-88-1.
What is the molecular formula of 1-Acetyl-4-bromopyrazole?
The molecular formula of 1-Acetyl-4-bromopyrazole is C5H5BrN2O.
What is the molecular weight of 1-Acetyl-4-bromopyrazole?
The molecular weight of 1-Acetyl-4-bromopyrazole is 187.96 g/mol.
Where can I buy 1-Acetyl-4-bromopyrazole?
You can request a quote for 1-Acetyl-4-bromopyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-4-bromopyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-bromopyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.