N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide (CAS 353455-53-5) is a chemical compound with molecular formula C13H11BrN4O5 and molecular weight 381.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: BAS 00414803, N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide, N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide, N-(2H-benzo[d]1,3-dioxolen-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazolyl)acetamid e, N-(benzo[d][1,3]dioxol-5-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
| Molecular Formula | C13H11BrN4O5 |
|---|---|
| Molecular Weight | 381.99 g/mol |
| LogP | 2.22962 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.99127 |
| Heavy Atoms | 23 |
| Complexity | 803.90283 |
Chemical Identifiers
| CAS Number | 353455-53-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide (CAS 353455-53-5), with molecular formula C13H11BrN4O5 and molecular weight 381.99 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
The XLogP value of 2.22962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide 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-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide is 353455-53-5.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide is C13H11BrN4O5.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide is 381.99 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.