N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 5973-55-7) is a chemical compound with molecular formula C11H12F3N3O4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline, N-butan-2-yl-2,6-dinitro-4-(trifluoromethyl)aniline, 2,6-dinitro-N-sec-butyl-4-(trifluoromethyl)aniline, A3236/0137402, Benzenamine, N-(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
| Molecular Formula | C11H12F3N3O4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.078 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 5973-55-7 |
|---|---|
| SMILES | CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | COAUHCNUULPWCV-UHFFFAOYSA-N |
Product Overview
N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 5973-55-7), with molecular formula C11H12F3N3O4 and molecular weight 307.08 g/mol. IUPAC: N-butan-2-yl-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 4.3 indicates that N-(butan-2-yl)-2,6-dinitro-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 N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 8 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 N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline is 5973-55-7.
What is the molecular formula of N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline is C11H12F3N3O4.
What is the molecular weight of N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline is 307.08 g/mol.
Where can I buy N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(butan-2-yl)-2,6-dinitro-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 N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.