1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate
TL;DR: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate (CAS 75479-59-3) is a chemical compound with molecular formula C20H29NO4 and molecular weight 347.21 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] 3,4-dimethoxybenzoate
Also Known As: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate, Benzoic acid, 3,4-dimethoxy-, 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 3,4-dimethoxybenzoate, [(1S,4S,6R)-2,2,3,4-tetramethyl-3-azabicyclo[2.2.2]octan-6-yl] 3,4-dimethoxybenzoate, (1S,4S,5R)-1,2,3,3-TETRAMETHYL-2-AZABICYCLO[2.2.2]OCTAN-5-YL 3,4-DIMETHOXYBENZOATE
| Molecular Formula | C20H29NO4 |
|---|---|
| Molecular Weight | 347.21 g/mol |
| LogP | 3.512 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.20966 |
| Heavy Atoms | 25 |
| Complexity | 666.90515 |
Chemical Identifiers
| CAS Number | 75479-59-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@@H](C1)OC(=O)C3=CC(=C(C=C3)OC)OC)C(N2C)(C)C |
Product Overview
1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate (CAS 75479-59-3), with molecular formula C20H29NO4 and molecular weight 347.21 g/mol. IUPAC: [(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate
Property Insights of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate
The XLogP value of 3.512 indicates that 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate 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 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 3,4-dimethoxybenzoate?
The CAS number of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate is 75479-59-3.
What is the molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate?
The molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate is C20H29NO4.
What is the molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate?
The molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate is 347.21 g/mol.
Where can I buy 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate?
You can request a quote for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate 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 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.