![3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide structure](/static/products/5128/512824-70-3.webp)
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide
TL;DR: 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide (CAS 512824-70-3) is a chemical compound with molecular formula C27H25N5O6 and molecular weight 515.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide
Also Known As: 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide, 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide, N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)benzamide
| Molecular Formula | C27H25N5O6 |
|---|---|
| Molecular Weight | 515.18 g/mol |
| LogP | 6.02608 |
| Topological Polar Surface Area | 142.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1805 |
| Heavy Atoms | 38 |
| Complexity | 1556.1742 |
Chemical Identifiers
| CAS Number | 512824-70-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=CC(=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C |
Product Overview
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide (CAS 512824-70-3), with molecular formula C27H25N5O6 and molecular weight 515.18 g/mol. IUPAC: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide.
Chemical Property Profile of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide
Property Insights of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide
The XLogP value of 6.02608 indicates that 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.43 Ų indicates high polarity, suggesting 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide?
The CAS number of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide is 512824-70-3.
What is the molecular formula of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide?
The molecular formula of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide is C27H25N5O6.
What is the molecular weight of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide?
The molecular weight of 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide is 515.18 g/mol.
Where can I buy 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide?
You can request a quote for 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.