![4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde structure](/static/products/2895/289504-55-8.webp)
4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde
TL;DR: 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde (CAS 289504-55-8) is a chemical compound with molecular formula C12H11BrN2O and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-[(4-methylphenyl)methyl]pyrazole-5-carbaldehyde
Also Known As: 4-Bromo-1-(4-methylbenzyl)-1H-pyrazole-5-carbaldehyde, 4-bromo-1-(4-methylbenzyl)-1H-pyrazole-5-carboxaldehyde, 4-bromo-2-[(4-methylphenyl)methyl]pyrazole-3-carbaldehyde, 4-bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carbaldehyde, 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde
| Molecular Formula | C12H11BrN2O |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0055 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 289504-55-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C=N2)Br)C=O |
| InChIKey | WIHLVGWCQXPMTN-UHFFFAOYSA-N |
Product Overview
4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde (CAS 289504-55-8), with molecular formula C12H11BrN2O and molecular weight 278.01 g/mol. IUPAC: 4-bromo-1-[(4-methylphenyl)methyl]pyrazole-5-carbaldehyde.
Chemical Property Profile of 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde
Property Insights of 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde. With a topological polar surface area (TPSA) of 34.9 Ų, 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde 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-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde?
The CAS number of 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde is 289504-55-8.
What is the molecular formula of 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde?
The molecular formula of 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde is C12H11BrN2O.
What is the molecular weight of 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde?
The molecular weight of 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde is 278.01 g/mol.
Where can I buy 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde?
You can request a quote for 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde 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-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.