![3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide structure](/static/products/5151/515175-24-3.webp)
3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
TL;DR: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide (CAS 515175-24-3) is a chemical compound with molecular formula C18H15BrN4O3S and molecular weight 446.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
Also Known As: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide, 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide, 3-({4-bromo-3-nitro-1H-pyrazol-1-yl}methyl)-N-[2-(methylsulfanyl)phenyl]benzamide, 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
| Molecular Formula | C18H15BrN4O3S |
|---|---|
| Molecular Weight | 446.00 g/mol |
| LogP | 4.5763 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.00482 |
| Heavy Atoms | 27 |
| Complexity | 1005.77673 |
Chemical Identifiers
| CAS Number | 515175-24-3 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)C2=CC=CC(=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br |
Product Overview
3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide (CAS 515175-24-3), with molecular formula C18H15BrN4O3S and molecular weight 446.00 g/mol. IUPAC: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide.
Chemical Property Profile of 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
Property Insights of 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
The XLogP value of 4.5763 indicates that 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)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 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide. Following Lipinski's Rule of Five, 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide has 1 hydrogen bond donor(s) and 5 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 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide?
The CAS number of 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide is 515175-24-3.
What is the molecular formula of 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide?
The molecular formula of 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide is C18H15BrN4O3S.
What is the molecular weight of 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide?
The molecular weight of 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide is 446.00 g/mol.
Where can I buy 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide?
You can request a quote for 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.