1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate
TL;DR: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate (CAS 75479-62-8) is a chemical compound with molecular formula C19H24F3NO2 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl] 3-(trifluoromethyl)benzoate
Also Known As: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate, Benzoic acid, 3-(trifluoromethyl)-, 1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)oct-5-yl ester, (1-alpha,4-alpha,5-alpha)-, 1,2,3,3-Tetramethyl-2-azabicyclo[2.2.2]octan-5-yl 3-(trifluoromethyl)benzoate, (1S,4S,5R)-1,2,3,3-Tetramethyl-2-azabicyclo[2.2.2]octan-5-yl 3-(trifluoromethyl)benzoate, [(1S,4S,6R)-2,2,3,4-tetramethyl-3-azabicyclo[2.2.2]octan-6-yl] 3-(trifluoromethyl)benzoate
| Molecular Formula | C19H24F3NO2 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 4.5136 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.1759 |
| Heavy Atoms | 25 |
| Complexity | 680.73706 |
Chemical Identifiers
| CAS Number | 75479-62-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@@H](C1)OC(=O)C3=CC(=CC=C3)C(F)(F)F)C(N2C)(C)C |
Product Overview
1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate (CAS 75479-62-8), with molecular formula C19H24F3NO2 and molecular weight 355.18 g/mol. IUPAC: [(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate
Property Insights of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate
The XLogP value of 4.5136 indicates that 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate 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 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate?
The CAS number of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate is 75479-62-8.
What is the molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate?
The molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate is C19H24F3NO2.
What is the molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate?
The molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate is 355.18 g/mol.
Where can I buy 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate?
You can request a quote for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol trifluoromethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.