2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol
TL;DR: 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol (CAS 42452-55-1) is a chemical compound with molecular formula C12H14F3N3O5 and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]ethanol
Also Known As: 2-[[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINO]ETHANOL, 2-[[2,6-dinitro-4- phenyl]propylamino]ethanol, 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]ethanol, Ethanol, 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]-, Ethanol, 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)propylamino)-
| Molecular Formula | C12H14F3N3O5 |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.08856 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 42452-55-1 |
|---|---|
| SMILES | CCCN(CCO)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | BXCXWQRPMVCUKU-UHFFFAOYSA-N |
Product Overview
2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol (CAS 42452-55-1), with molecular formula C12H14F3N3O5 and molecular weight 337.09 g/mol. IUPAC: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]ethanol.
Chemical Property Profile of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol
Property Insights of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol
The XLogP value of 3.8 indicates that 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol. Following Lipinski's Rule of Five, 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol has 1 hydrogen bond donor(s) and 9 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-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol?
The CAS number of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol is 42452-55-1.
What is the molecular formula of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol?
The molecular formula of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol is C12H14F3N3O5.
What is the molecular weight of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol?
The molecular weight of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol is 337.09 g/mol.
Where can I buy 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol?
You can request a quote for 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)propylamino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.