1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate
TL;DR: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate (CAS 75479-57-1) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl] 3-methoxybenzoate
Also Known As: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate, Benzoic acid, 4-methoxy-, 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-methoxybenzoate, (1S,4S,5R)-1,2,3,3-Tetramethyl-2-azabicyclo[2.2.2]octan-5-yl 3-methoxybenzoate, [(1S,4S,6R)-2,2,3,4-tetramethyl-3-azabicyclo[2.2.2]octan-6-yl] 3-methoxybenzoate
Technical Specifications
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.1991 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1991 Da |
| Heavy Atoms | 23 |
| Complexity | 464.0 |
| SMILES | C[C@]12CC[C@H]([C@@H](C1)OC(=O)C3=CC(=CC=C3)OC)C(N2C)(C)C |
| InChIKey | JANSDUPUCLKZCY-MDZRGWNJSA-N |
Chemical Property Profile of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate
Property Insights of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate
The XLogP value of 3.6 indicates that 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate 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 p-methoxybenzoate 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
What is the CAS number of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate?
The CAS number of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate is 75479-57-1.
What is the molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate?
The molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate is C19H27NO3.
What is the molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate?
The molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate is 317.1991 g/mol.
Where can I buy 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate?
You can request a quote for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.