4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole
TL;DR: 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole (CAS 51355-84-1) is a chemical compound with molecular formula C6H8BrClN2 and molecular weight 221.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-(chloromethyl)-3,5-dimethylpyrazole
Also Known As: 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole, 4-bromo-1-(chloromethyl)-3,5-dimethylpyrazole, 4-Bromo-1-chloromethyl-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C6H8BrClN2 |
|---|---|
| Molecular Weight | 221.96 g/mol |
| LogP | 2.45874 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.95593 |
| Heavy Atoms | 10 |
| Complexity | 244.141 |
Chemical Identifiers
| CAS Number | 51355-84-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CCl)C)Br |
Product Overview
4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole (CAS 51355-84-1), with molecular formula C6H8BrClN2 and molecular weight 221.96 g/mol. IUPAC: 4-bromo-1-(chloromethyl)-3,5-dimethylpyrazole.
Chemical Property Profile of 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole
Property Insights of 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.45874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 1 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-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole is 51355-84-1.
What is the molecular formula of 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole is C6H8BrClN2.
What is the molecular weight of 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole is 221.96 g/mol.
Where can I buy 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 4-bromo-1-(chloromethyl)-3,5-dimethyl-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-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-1-(chloromethyl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.