3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
TL;DR: 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline (CAS 36462-40-5) is a chemical compound with molecular formula C14H18F3N3O5 and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
Also Known As: 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline, Benzoic acid,4-(2-bromophenoxymethyl), Benzenamine, 3-methyoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-, 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-benzenamine
| Molecular Formula | C14H18F3N3O5 |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.11984 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 36462-40-5 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=C(C(=C1[N+](=O)[O-])OC)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | NELVKRRREKWBII-UHFFFAOYSA-N |
Product Overview
3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline (CAS 36462-40-5), with molecular formula C14H18F3N3O5 and molecular weight 365.12 g/mol. IUPAC: 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline.
Chemical Property Profile of 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
Property Insights of 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
The XLogP value of 4.3 indicates that 3-methoxy-2,6-dinitro-N,N-dipropyl-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 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 3-methoxy-2,6-dinitro-N,N-dipropyl-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 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
The CAS number of 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is 36462-40-5.
What is the molecular formula of 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
The molecular formula of 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is C14H18F3N3O5.
What is the molecular weight of 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
The molecular weight of 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is 365.12 g/mol.
Where can I buy 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
You can request a quote for 3-methoxy-2,6-dinitro-N,N-dipropyl-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 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.