2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline
TL;DR: 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline (CAS 36317-75-6) is a chemical compound with molecular formula C12H14F3N3O4 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline
Also Known As: 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline
| Molecular Formula | C12H14F3N3O4 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 4.1239 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.09363 |
| Heavy Atoms | 22 |
| Complexity | 540.2203 |
Chemical Identifiers
| CAS Number | 36317-75-6 |
|---|---|
| SMILES | CCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline (CAS 36317-75-6), with molecular formula C12H14F3N3O4 and molecular weight 321.09 g/mol. IUPAC: 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline
Property Insights of 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline
The XLogP value of 4.1239 indicates that 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 5 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 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline?
The CAS number of 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline is 36317-75-6.
What is the molecular formula of 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline?
The molecular formula of 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline is C12H14F3N3O4.
What is the molecular weight of 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline?
The molecular weight of 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline is 321.09 g/mol.
Where can I buy 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline?
You can request a quote for 2,6-dinitro-N-pentyl-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 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.