![3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde structure](/static/products/5148/514800-90-9.webp)
3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
TL;DR: 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde (CAS 514800-90-9) is a chemical compound with molecular formula C13H12BrN3O4 and molecular weight 353.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Also Known As: 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde, 3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde, 3-((4-Bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)-4-methoxybenzaldehyde, 3-[(4-bromo-5-methyl-3-nitropyrazolyl)methyl]-4-methoxybenzaldehyde
| Molecular Formula | C13H12BrN3O4 |
|---|---|
| Molecular Weight | 353.00 g/mol |
| LogP | 2.73162 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.00113 |
| Heavy Atoms | 21 |
| Complexity | 711.6822 |
Chemical Identifiers
| CAS Number | 514800-90-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)C=O)OC)[N+](=O)[O-])Br |
Product Overview
3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde (CAS 514800-90-9), with molecular formula C13H12BrN3O4 and molecular weight 353.00 g/mol. IUPAC: 3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde.
Chemical Property Profile of 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Property Insights of 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
The XLogP value of 2.73162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde. Following Lipinski's Rule of Five, 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde has 0 hydrogen bond donor(s) and 5 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 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
The CAS number of 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde is 514800-90-9.
What is the molecular formula of 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
The molecular formula of 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde is C13H12BrN3O4.
What is the molecular weight of 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
The molecular weight of 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde is 353.00 g/mol.
Where can I buy 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
You can request a quote for 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.