5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline
TL;DR: 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline (CAS 647824-52-0) is a chemical compound with molecular formula C13H12ClF3N4O2 and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline
Also Known As: 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline, N1-[3-(1H-imidazol-1-yl)propyl]-5-chloro-2-nitro-4-(trifluoromethyl)aniline, 5-chloro-N-[3-(imidazol-1-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline, 5-Chloro-N-[3-(1H-imidazol-1-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline
| Molecular Formula | C13H12ClF3N4O2 |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 3.9657 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0601 |
| Heavy Atoms | 23 |
| Complexity | 689.2684 |
Chemical Identifiers
| CAS Number | 647824-52-0 |
|---|---|
| SMILES | C1=CN(C=N1)CCCNC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-] |
Product Overview
5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline (CAS 647824-52-0), with molecular formula C13H12ClF3N4O2 and molecular weight 348.06 g/mol. IUPAC: 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline
Property Insights of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline
The XLogP value of 3.9657 indicates that 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline 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 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline?
The CAS number of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline is 647824-52-0.
What is the molecular formula of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline?
The molecular formula of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline is C13H12ClF3N4O2.
What is the molecular weight of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline?
The molecular weight of 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline is 348.06 g/mol.
Where can I buy 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline?
You can request a quote for 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(3-imidazol-1-ylpropyl)-2-nitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.