2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate
TL;DR: 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate (CAS 477848-35-4) is a chemical compound with molecular formula C16H20F3NO3 and molecular weight 331.14 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-methoxybenzoate
Also Known As: 2,2,2-trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate, 10P-964, (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) 3-methoxybenzoate, [1,1,1-trifluoro-3-(1-piperidyl)propan-2-yl] 3-methoxybenzoate, 1,1,1-trifluoro-3-(piperidin-1-yl)propan-2-yl 3-methoxybenzoate
| Molecular Formula | C16H20F3NO3 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.2688 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.13953 |
| Heavy Atoms | 23 |
| Complexity | 527.5469 |
Chemical Identifiers
| CAS Number | 477848-35-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OC(CN2CCCCC2)C(F)(F)F |
Product Overview
2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate (CAS 477848-35-4), with molecular formula C16H20F3NO3 and molecular weight 331.14 g/mol. IUPAC: (1,1,1-trifluoro-3-piperidin-1-ylpropan-2-yl) 3-methoxybenzoate.
Chemical Property Profile of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate
Property Insights of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate
The XLogP value of 3.2688 indicates that 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate has 0 hydrogen bond donor(s) and 4 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-methoxybenzenecarboxylate?
The CAS number of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate is 477848-35-4.
What is the molecular formula of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate?
The molecular formula of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate is C16H20F3NO3.
What is the molecular weight of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate?
The molecular weight of 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate is 331.14 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate?
You can request a quote for 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate 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-methoxybenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1-(piperidinomethyl)ethyl 3-methoxybenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.