2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate
TL;DR: 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate (CAS 477848-34-3) is a chemical compound with molecular formula C15H17ClF3NO2 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) 3-chlorobenzoate
Also Known As: 2,2,2-trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate, (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) 3-chlorobenzoate, 1,1,1-trifluoro-3-(piperidin-1-yl)propan-2-yl 3-chlorobenzoate, [2,2,2-trifluoro-1-(1-piperidylmethyl)ethyl] 3-chlorobenzoate, [1,1,1-trifluoro-3-(1-piperidyl)propan-2-yl] 3-chlorobenzoate
| Molecular Formula | C15H17ClF3NO2 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 3.9136 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.09 |
| Heavy Atoms | 22 |
| Complexity | 515.75415 |
Chemical Identifiers
| CAS Number | 477848-34-3 |
|---|---|
| SMILES | C1CCN(CC1)CC(C(F)(F)F)OC(=O)C2=CC(=CC=C2)Cl |
Product Overview
2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate (CAS 477848-34-3), with molecular formula C15H17ClF3NO2 and molecular weight 335.09 g/mol. IUPAC: (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) 3-chlorobenzoate.
Chemical Property Profile of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate
Property Insights of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate
The XLogP value of 3.9136 indicates that 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate 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 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate?
The CAS number of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate is 477848-34-3.
What is the molecular formula of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate?
The molecular formula of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate is C15H17ClF3NO2.
What is the molecular weight of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate?
The molecular weight of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate is 335.09 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate?
You can request a quote for 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.