N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine
TL;DR: N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine (CAS 133229-93-3) is a chemical compound with molecular formula C12H5ClF3N5O6 and molecular weight 406.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-nitropyridin-2-amine
Also Known As: ethylthiocarbonyloxymethyl 2,2-dimethylpropionate, N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine, N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-nitropyridin-2-amine, N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-nitro-pyridin-2-amine, 5-Nitro-N-(3-chloro-4-trifluoromethyl-2,6-dinitrophenyl)pyridin-2-amine
| Molecular Formula | C12H5ClF3N5O6 |
|---|---|
| Molecular Weight | 406.99 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.98804 |
| Heavy Atoms | 27 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 133229-93-3 |
|---|---|
| SMILES | C1=CC(=NC=C1[N+](=O)[O-])NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | BQCZUKAZEIEGQP-UHFFFAOYSA-N |
Product Overview
N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine (CAS 133229-93-3), with molecular formula C12H5ClF3N5O6 and molecular weight 406.99 g/mol. IUPAC: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-nitropyridin-2-amine.
Chemical Property Profile of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine
Property Insights of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine
The XLogP value of 4.3 indicates that N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine?
The CAS number of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine is 133229-93-3.
What is the molecular formula of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine?
The molecular formula of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine is C12H5ClF3N5O6.
What is the molecular weight of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine?
The molecular weight of N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine is 406.99 g/mol.
Where can I buy N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine?
You can request a quote for N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-nitropyridin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.