![N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide structure](/static/products/4918/491829-91-5.webp)
N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide
TL;DR: N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide (CAS 491829-91-5) is a chemical compound with molecular formula C18H15BrN4O3 and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide
Also Known As: N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide, N-benzyl-4-({4-bromo-3-nitro-1H-pyrazol-1-yl}methyl)benzamide, N-benzyl-4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
| Molecular Formula | C18H15BrN4O3 |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 3.5321 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.03275 |
| Heavy Atoms | 26 |
| Complexity | 923.3691 |
Chemical Identifiers
| CAS Number | 491829-91-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br |
Product Overview
N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide (CAS 491829-91-5), with molecular formula C18H15BrN4O3 and molecular weight 414.03 g/mol. IUPAC: N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide.
Chemical Property Profile of N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide
Property Insights of N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide
The XLogP value of 3.5321 indicates that N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide. Following Lipinski's Rule of Five, N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 4 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 N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide?
The CAS number of N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide is 491829-91-5.
What is the molecular formula of N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide?
The molecular formula of N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide is C18H15BrN4O3.
What is the molecular weight of N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide?
The molecular weight of N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide is 414.03 g/mol.
Where can I buy N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide?
You can request a quote for N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.