4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde
TL;DR: 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde (CAS 289504-53-6) is a chemical compound with molecular formula C11H8BrClN2O and molecular weight 297.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-5-carbaldehyde
Also Known As: O-t-Butyl-L-threonine, 4-BROMO-1-(4-CHLOROBENZYL)-1H-PYRAZOLE-5-CARBALDEHYDE, 4-bromo-2-[(4-chlorophenyl)methyl]pyrazole-3-carbaldehyde, 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carboxaldehyde, 4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carbaldehyde
| Molecular Formula | C11H8BrClN2O |
|---|---|
| Molecular Weight | 297.95 g/mol |
| LogP | 3.1598 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.95084 |
| Heavy Atoms | 16 |
| Complexity | 507.20316 |
Chemical Identifiers
| CAS Number | 289504-53-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=C(C=N2)Br)C=O)Cl |
Product Overview
4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde (CAS 289504-53-6), with molecular formula C11H8BrClN2O and molecular weight 297.95 g/mol. IUPAC: 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-5-carbaldehyde.
Chemical Property Profile of 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde
Property Insights of 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde
The XLogP value of 3.1598 indicates that 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde 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 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde?
The CAS number of 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde is 289504-53-6.
What is the molecular formula of 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde?
The molecular formula of 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde is C11H8BrClN2O.
What is the molecular weight of 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde?
The molecular weight of 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde is 297.95 g/mol.
Where can I buy 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde?
You can request a quote for 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde 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-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.