1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine
TL;DR: 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine (CAS 302940-68-7) is a chemical compound with molecular formula C13H13F3N2O3 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
Also Known As: 1-(3-nitrobenzoyl)-3-(trifluoromethyl)piperidine, (3-nitrophenyl)(3-(trifluoromethyl)piperidin-1-yl)methanone, AB00685164-01, F0774-0037, (3-nitrophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
| Molecular Formula | C13H13F3N2O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.0093 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.08783 |
| Heavy Atoms | 21 |
| Complexity | 559.83765 |
Chemical Identifiers
| CAS Number | 302940-68-7 |
|---|---|
| SMILES | C1CC(CN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F |
Product Overview
1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine (CAS 302940-68-7), with molecular formula C13H13F3N2O3 and molecular weight 302.09 g/mol. IUPAC: (3-nitrophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
Chemical Property Profile of 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine
Property Insights of 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine
The XLogP value of 3.0093 indicates that 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine. Following Lipinski's Rule of Five, 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine has 0 hydrogen bond donor(s) and 3 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 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine?
The CAS number of 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine is 302940-68-7.
What is the molecular formula of 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine?
The molecular formula of 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine is C13H13F3N2O3.
What is the molecular weight of 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine?
The molecular weight of 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine is 302.09 g/mol.
Where can I buy 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine?
You can request a quote for 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrobenzoyl)-3-(trifluoromethyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.