N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 26389-46-8) is a chemical compound with molecular formula C11H10F3N3O4 and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline, Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)-
| Molecular Formula | C11H10F3N3O4 |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.06235 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 26389-46-8 |
|---|---|
| SMILES | C1CC1CNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | AOQLDKFEPCBCNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 26389-46-8), with molecular formula C11H10F3N3O4 and molecular weight 305.06 g/mol. IUPAC: N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 3.2 indicates that N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 26389-46-8.
What is the molecular formula of N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline is C11H10F3N3O4.
What is the molecular weight of N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 305.06 g/mol.
Where can I buy N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.