1-benzyl-4-bromo-1H-pyrazole
TL;DR: 1-benzyl-4-bromo-1H-pyrazole (CAS 50877-41-3) is a chemical compound with molecular formula C10H9BrN2 and molecular weight 235.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-bromopyrazole
Also Known As: 1-benzyl-4-bromo-1H-pyrazole, 1-benzyl-4-bromopyrazole, null, 4-bromo-1-benzylpyrazole, 1-benzyl-4-bromo-pyrazole
| Molecular Formula | C10H9BrN2 |
|---|---|
| Molecular Weight | 235.99 g/mol |
| LogP | 2.6939 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.9949 |
| Heavy Atoms | 13 |
| Complexity | 380.8331 |
Chemical Identifiers
| CAS Number | 50877-41-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C=N2)Br |
Product Overview
1-benzyl-4-bromo-1H-pyrazole (CAS 50877-41-3), with molecular formula C10H9BrN2 and molecular weight 235.99 g/mol. IUPAC: 1-benzyl-4-bromopyrazole.
Chemical Property Profile of 1-benzyl-4-bromo-1H-pyrazole
Property Insights of 1-benzyl-4-bromo-1H-pyrazole
The XLogP value of 2.6939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-4-bromo-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 1-benzyl-4-bromo-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-bromo-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 1-benzyl-4-bromo-1H-pyrazole?
The CAS number of 1-benzyl-4-bromo-1H-pyrazole is 50877-41-3.
What is the molecular formula of 1-benzyl-4-bromo-1H-pyrazole?
The molecular formula of 1-benzyl-4-bromo-1H-pyrazole is C10H9BrN2.
What is the molecular weight of 1-benzyl-4-bromo-1H-pyrazole?
The molecular weight of 1-benzyl-4-bromo-1H-pyrazole is 235.99 g/mol.
Where can I buy 1-benzyl-4-bromo-1H-pyrazole?
You can request a quote for 1-benzyl-4-bromo-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-bromo-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-bromo-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.