2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline
TL;DR: 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline (CAS 34128-99-9) is a chemical compound with molecular formula C15H18F3N3O5 and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline
Also Known As: GS 39985, J1.617.295B, 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline, 2,6-Dinitro-N-[(oxolan-2-yl)methyl]-N-propyl-4-(trifluoromethyl)aniline, 2-Furanmethanamine, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-N-propyl-
| Molecular Formula | C15H18F3N3O5 |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.11984 |
| Heavy Atoms | 26 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 34128-99-9 |
|---|---|
| SMILES | CCCN(CC1CCCO1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | MQEMYPOTBGAMLP-UHFFFAOYSA-N |
Product Overview
2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline (CAS 34128-99-9), with molecular formula C15H18F3N3O5 and molecular weight 377.12 g/mol. IUPAC: 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline
Property Insights of 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline
The XLogP value of 4.9 indicates that 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline has 0 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 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
The CAS number of 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline is 34128-99-9.
What is the molecular formula of 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
The molecular formula of 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline is C15H18F3N3O5.
What is the molecular weight of 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
The molecular weight of 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline is 377.12 g/mol.
Where can I buy 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
You can request a quote for 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-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-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.