4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
TL;DR: 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole (CAS 849924-85-2) is a chemical compound with molecular formula C7H11BrN2 and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole
Also Known As: 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole, 4-(2-Bromo-ethyl)-3,5-dimethyl-1H-pyrazole, timtec-bb sbb010155, 1-methyl-1H-pyrazol-4-amine, 3,5-Dimethyl-4-(2-bromoethyl)-1H-pyrazole
| Molecular Formula | C7H11BrN2 |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.01056 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 849924-85-2 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CCBr |
| InChIKey | HGGLMDBNLJUEKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole (CAS 849924-85-2), with molecular formula C7H11BrN2 and molecular weight 202.01 g/mol. IUPAC: 4-(2-bromoethyl)-3,5-dimethyl-1H-pyrazole.
Chemical Property Profile of 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
Property Insights of 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole has 1 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-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole is 849924-85-2.
What is the molecular formula of 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole is C7H11BrN2.
What is the molecular weight of 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole is 202.01 g/mol.
Where can I buy 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 4-(2-Bromoethyl)-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-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.