![3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide structure](/static/products/4462/446258-36-2.webp)
3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
TL;DR: 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide (CAS 446258-36-2) is a chemical compound with molecular formula C16H13BrF3N3O3 and molecular weight 431.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
Also Known As: 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide, 3-bromo-N-(2-{[4-nitro-2-(trifluoromethyl)phenyl]amino}ethyl)benzamide, 3-bromo-N-[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]ethyl]benzamide
| Molecular Formula | C16H13BrF3N3O3 |
|---|---|
| Molecular Weight | 431.01 g/mol |
| LogP | 4.218 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.00925 |
| Heavy Atoms | 26 |
| Complexity | 827.8726 |
Chemical Identifiers
| CAS Number | 446258-36-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F |
Product Overview
3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide (CAS 446258-36-2), with molecular formula C16H13BrF3N3O3 and molecular weight 431.01 g/mol. IUPAC: 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide.
Chemical Property Profile of 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
Property Insights of 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
The XLogP value of 4.218 indicates that 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide has 2 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 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide?
The CAS number of 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide is 446258-36-2.
What is the molecular formula of 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide?
The molecular formula of 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide is C16H13BrF3N3O3.
What is the molecular weight of 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide?
The molecular weight of 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide is 431.01 g/mol.
Where can I buy 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide?
You can request a quote for 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.