4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde
TL;DR: 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde (CAS 956440-93-0) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde
Also Known As: 4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzaldehyde, 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde, 4-methoxy-3-[(3-nitro-1h-pyrazol-1-yl)methyl]-benzaldehyde, 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde, 4-Methoxy-3-(3-nitro-pyrazol-1-ylmethyl)-benzaldehyde
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.6607 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 621.1871 |
Chemical Identifiers
| CAS Number | 956440-93-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)CN2C=CC(=N2)[N+](=O)[O-] |
Product Overview
4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde (CAS 956440-93-0), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzaldehyde.
Chemical Property Profile of 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde
Property Insights of 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde
The XLogP value of 1.6607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde. Following Lipinski's Rule of Five, 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde 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 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde?
The CAS number of 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde is 956440-93-0.
What is the molecular formula of 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde?
The molecular formula of 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde is C12H11N3O4.
What is the molecular weight of 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde?
The molecular weight of 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde is 261.07 g/mol.
Where can I buy 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde?
You can request a quote for 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-((3-nitro-1H-pyrazol-1-yl)methyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.