N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline
TL;DR: N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline (CAS 740-47-6) is a chemical compound with molecular formula C14H10F3N3O2 and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline
Also Known As: N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline
| Molecular Formula | C14H10F3N3O2 |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 4.0596 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.0725 |
| Heavy Atoms | 22 |
| Complexity | 700.2244 |
Chemical Identifiers
| CAS Number | 740-47-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline (CAS 740-47-6), with molecular formula C14H10F3N3O2 and molecular weight 309.07 g/mol. IUPAC: N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline
Property Insights of N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline
The XLogP value of 4.0596 indicates that N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(benzylideneamino)-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 N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline?
The CAS number of N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline is 740-47-6.
What is the molecular formula of N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline is C14H10F3N3O2.
What is the molecular weight of N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline is 309.07 g/mol.
Where can I buy N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(benzylideneamino)-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 N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.