1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate
TL;DR: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate (CAS 75479-61-7) is a chemical compound with molecular formula C19H27NO2 and molecular weight 301.20 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] 4-methylbenzoate
Also Known As: 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate, Benzoic acid, 4-methyl-, 1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)oct-5-yl ester, (1-alpha,4-alpha,5-alpha)-, [(1S,4S,6R)-2,2,3,4-tetramethyl-3-azabicyclo[2.2.2]octan-6-yl] 4-methylbenzoate, 1,2,3,3-Tetramethyl-2-azabicyclo[2.2.2]octan-5-yl 4-methylbenzoate, (1S,4S,5R)-1,2,3,3-TETRAMETHYL-2-AZABICYCLO[2.2.2]OCTAN-5-YL 4-METHYLBENZOATE
| Molecular Formula | C19H27NO2 |
|---|---|
| Molecular Weight | 301.20 g/mol |
| LogP | 3.80322 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.2042 |
| Heavy Atoms | 22 |
| Complexity | 572.848 |
Chemical Identifiers
| CAS Number | 75479-61-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)O[C@@H]2C[C@@]3(CC[C@H]2C(N3C)(C)C)C |
Product Overview
1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate (CAS 75479-61-7), with molecular formula C19H27NO2 and molecular weight 301.20 g/mol. IUPAC: [(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl] 4-methylbenzoate.
Chemical Property Profile of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate
Property Insights of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate
The XLogP value of 3.80322 indicates that 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate 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 p-methylbenzoate 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-methylbenzoate 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 p-methylbenzoate?
The CAS number of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate is 75479-61-7.
What is the molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate?
The molecular formula of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate is C19H27NO2.
What is the molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate?
The molecular weight of 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate is 301.20 g/mol.
Where can I buy 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate?
You can request a quote for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate 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 p-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,3-Tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.