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N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide
TL;DR: N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide (CAS 306977-98-0) is a chemical compound with molecular formula C16H17F3N4O5 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-prop-2-enylpiperidine-4-carboxamide
Also Known As: N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-prop-2-enylpiperidine-4-carboxamide
| Molecular Formula | C16H17F3N4O5 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.0404 |
| Topological Polar Surface Area | 118.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.1151 |
| Heavy Atoms | 28 |
| Complexity | 768.95483 |
Chemical Identifiers
| CAS Number | 306977-98-0 |
|---|---|
| SMILES | C=CCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide (CAS 306977-98-0), with molecular formula C16H17F3N4O5 and molecular weight 402.12 g/mol. IUPAC: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-prop-2-enylpiperidine-4-carboxamide.
Chemical Property Profile of N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide
Property Insights of N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide
The XLogP value of 3.0404 indicates that N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide. Following Lipinski's Rule of Five, N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide has 1 hydrogen bond donor(s) and 6 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-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide?
The CAS number of N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide is 306977-98-0.
What is the molecular formula of N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide?
The molecular formula of N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide is C16H17F3N4O5.
What is the molecular weight of N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide?
The molecular weight of N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide is 402.12 g/mol.
Where can I buy N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide?
You can request a quote for N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.