![N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide structure](/static/products/944/944780-87-4.png)
N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide
TL;DR: N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide (CAS 944780-87-4) is a chemical compound with molecular formula C21H20BrN5O4 and molecular weight 485.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide
Also Known As: N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide, (E)-N'-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-3-nitrobenzohydrazide, N'-[(E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-nitrobenzohydrazide
| Molecular Formula | C21H20BrN5O4 |
|---|---|
| Molecular Weight | 485.07 g/mol |
| LogP | 3.99144 |
| Topological Polar Surface Area | 111.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.0699 |
| Heavy Atoms | 31 |
| Complexity | 1172.5719 |
Chemical Identifiers
| CAS Number | 944780-87-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)C)Br |
Product Overview
N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide (CAS 944780-87-4), with molecular formula C21H20BrN5O4 and molecular weight 485.07 g/mol. IUPAC: N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide.
Chemical Property Profile of N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide
Property Insights of N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide
The XLogP value of 3.99144 indicates that N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide has 1 hydrogen bond donor(s) and 6 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-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide?
The CAS number of N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide is 944780-87-4.
What is the molecular formula of N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide?
The molecular formula of N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide is C21H20BrN5O4.
What is the molecular weight of N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide?
The molecular weight of N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide is 485.07 g/mol.
Where can I buy N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide?
You can request a quote for N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.