ChemDiv1_000791
TL;DR: ChemDiv1_000791 (CAS 353455-41-1) is a chemical compound with molecular formula C13H9BrClF3N4O3 and molecular weight 439.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv1_000791, 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C13H9BrClF3N4O3 |
|---|---|
| Molecular Weight | 439.95 g/mol |
| LogP | 4.17312 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.94986 |
| Heavy Atoms | 25 |
| Complexity | 853.77527 |
Chemical Identifiers
| CAS Number | 353455-41-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-])Br |
Product Overview
ChemDiv1_000791 (CAS 353455-41-1), with molecular formula C13H9BrClF3N4O3 and molecular weight 439.95 g/mol. IUPAC: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_000791
Property Insights of ChemDiv1_000791
The XLogP value of 4.17312 indicates that ChemDiv1_000791 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 ChemDiv1_000791. Following Lipinski's Rule of Five, ChemDiv1_000791 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_000791?
The CAS number of ChemDiv1_000791 is 353455-41-1.
What is the molecular formula of ChemDiv1_000791?
The molecular formula of ChemDiv1_000791 is C13H9BrClF3N4O3.
What is the molecular weight of ChemDiv1_000791?
The molecular weight of ChemDiv1_000791 is 439.95 g/mol.
Where can I buy ChemDiv1_000791?
You can request a quote for ChemDiv1_000791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000791?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.