N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline
TL;DR: N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline (CAS 2822-14-2) is a chemical compound with molecular formula C14H11F3N2O5S and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline
Also Known As: N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline, N-(4-methoxyphenyl)-2-nitro-4-((trifluoromethyl)sulfonyl)aniline, N-(4-methoxyphenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
| Molecular Formula | C14H11F3N2O5S |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 3.6405 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0341 |
| Heavy Atoms | 25 |
| Complexity | 895.6735 |
Chemical Identifiers
| CAS Number | 2822-14-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline (CAS 2822-14-2), with molecular formula C14H11F3N2O5S and molecular weight 376.03 g/mol. IUPAC: N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline
Property Insights of N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline
The XLogP value of 3.6405 indicates that N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline. Following Lipinski's Rule of Five, N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline has 1 hydrogen bond donor(s) and 6 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 N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline?
The CAS number of N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline is 2822-14-2.
What is the molecular formula of N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline?
The molecular formula of N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline is C14H11F3N2O5S.
What is the molecular weight of N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline?
The molecular weight of N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline is 376.03 g/mol.
Where can I buy N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline?
You can request a quote for N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.