2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-
TL;DR: 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)- (CAS 116726-05-7) is a chemical compound with molecular formula C14H12F3N3O5 and molecular weight 359.0729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]prop-2-enal
Also Known As: 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-, (E)-3-[cyclopropylmethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]prop-2-enal, (E)-3-[N-(cyclopropylmethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]prop-2-enal
Technical Specifications
| Molecular Formula | C14H12F3N3O5 |
| Molecular Weight | 359.0729 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0729 Da |
| Heavy Atoms | 25 |
| Complexity | 529.0 |
| SMILES | C1CC1CN(/C=C/C=O)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PTTQXPCBCOXHHV-DAFODLJHSA-N |
Chemical Property Profile of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-
Property Insights of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-. Following Lipinski's Rule of Five, 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)- 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
What is the CAS number of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-?
The CAS number of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)- is 116726-05-7.
What is the molecular formula of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-?
The molecular formula of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)- is C14H12F3N3O5.
What is the molecular weight of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-?
The molecular weight of 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)- is 359.0729 g/mol.
Where can I buy 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-?
You can request a quote for 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-?
Yes, CoreyChem provides custom synthesis services for 2-Propenal, 3-((cyclopropylmethyl)(2,6-dinitro-4-(trifluoromethyl)phenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.