![4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine structure](/static/products/915/91590-99-7.png)
4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
TL;DR: 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine (CAS 91590-99-7) is a chemical compound with molecular formula C13H10F3N3O2 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
Also Known As: 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine, N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine, N1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,4-benzenediamine, N~1~-[2-Nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
| Molecular Formula | C13H10F3N3O2 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 3.9394 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0725 |
| Heavy Atoms | 21 |
| Complexity | 669.352 |
Chemical Identifiers
| CAS Number | 91590-99-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine (CAS 91590-99-7), with molecular formula C13H10F3N3O2 and molecular weight 297.07 g/mol. IUPAC: 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine.
Chemical Property Profile of 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
Property Insights of 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
The XLogP value of 3.9394 indicates that 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine. Following Lipinski's Rule of Five, 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine 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 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The CAS number of 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine is 91590-99-7.
What is the molecular formula of 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The molecular formula of 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine is C13H10F3N3O2.
What is the molecular weight of 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The molecular weight of 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine is 297.07 g/mol.
Where can I buy 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
You can request a quote for 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.