(2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine
TL;DR: (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine (CAS 332108-27-7) is a chemical compound with molecular formula C15H13F3N2O3 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
Also Known As: KST-1A6048, (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine, BAS 01125298, BIM-0025287.P001, 2-methoxy-5-nitro-N-[4-(trifluoromethyl)benzyl]aniline
| Molecular Formula | C15H13F3N2O3 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 4.2343 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.08783 |
| Heavy Atoms | 23 |
| Complexity | 700.1036 |
Chemical Identifiers
| CAS Number | 332108-27-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C(F)(F)F |
Product Overview
(2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine (CAS 332108-27-7), with molecular formula C15H13F3N2O3 and molecular weight 326.09 g/mol. IUPAC: 2-methoxy-5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
Chemical Property Profile of (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine
Property Insights of (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine
The XLogP value of 4.2343 indicates that (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine. Following Lipinski's Rule of Five, (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine 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 (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine?
The CAS number of (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine is 332108-27-7.
What is the molecular formula of (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine?
The molecular formula of (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine is C15H13F3N2O3.
What is the molecular weight of (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine?
The molecular weight of (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine is 326.09 g/mol.
Where can I buy (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine?
You can request a quote for (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for (2-Methoxy-5-nitro-phenyl)-(4-trifluoromethyl-benzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.