![N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide structure](/static/products/514/514217-79-9.png)
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
TL;DR: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide (CAS 514217-79-9) is a chemical compound with molecular formula C20H16BrN5O5 and molecular weight 485.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
Also Known As: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide, N'-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-3-({3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzohydrazide, N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide, N'-[(E)-1-(6-BROMO-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-3-[(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOHYDRAZIDE
| Molecular Formula | C20H16BrN5O5 |
|---|---|
| Molecular Weight | 485.03 g/mol |
| LogP | 3.40312 |
| Topological Polar Surface Area | 120.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.03348 |
| Heavy Atoms | 31 |
| Complexity | 1206.6664 |
Chemical Identifiers
| CAS Number | 514217-79-9 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC(=CC=C2)C(=O)N/N=C/C3=CC4=C(C=C3Br)OCO4)[N+](=O)[O-] |
Product Overview
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide (CAS 514217-79-9), with molecular formula C20H16BrN5O5 and molecular weight 485.03 g/mol. IUPAC: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide.
Chemical Property Profile of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
Property Insights of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
The XLogP value of 3.40312 indicates that N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide. Following Lipinski's Rule of Five, N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 7 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)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
The CAS number of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide is 514217-79-9.
What is the molecular formula of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
The molecular formula of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide is C20H16BrN5O5.
What is the molecular weight of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
The molecular weight of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide is 485.03 g/mol.
Where can I buy N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
You can request a quote for N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-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-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.