2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate
TL;DR: 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate (CAS 58717-62-7) is a chemical compound with molecular formula C17H23NO2 and molecular weight 273.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-phenyl-2-azabicyclo[2.2.2]octan-6-yl) propanoate
Also Known As: 5-21-03-00116 (Beilstein Handbook Reference), 2-Methyl-6-trans-phenyl-6-cis-propionoxy-2-azabicyclo(2.2.2)octane, 2-Azabicyclo(2.2.2)octane, 2-methyl-6-trans-phenyl-6-cis-propionoxy-, 2-AZABICYCLO(2.2.2)OCTAN-6-OL, 2-METHYL-6-trans-PHENYL-, cis-PROPIONATE, 2-Methyl-5-phenyl-2-azabicyclo[2.2.2]octan-6-yl propanoate
| Molecular Formula | C17H23NO2 |
|---|---|
| Molecular Weight | 273.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.17288 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 58717-62-7 |
|---|---|
| SMILES | CCC(=O)OC1C2CCC(C1C3=CC=CC=C3)CN2C |
| InChIKey | SIVHYBGQEOERHA-UHFFFAOYSA-N |
Product Overview
2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate (CAS 58717-62-7), with molecular formula C17H23NO2 and molecular weight 273.17 g/mol. IUPAC: (2-methyl-5-phenyl-2-azabicyclo[2.2.2]octan-6-yl) propanoate.
Chemical Property Profile of 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate
Property Insights of 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate
The XLogP value of 3.0 indicates that 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate 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 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate?
The CAS number of 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate is 58717-62-7.
What is the molecular formula of 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate?
The molecular formula of 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate is C17H23NO2.
What is the molecular weight of 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate?
The molecular weight of 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate is 273.17 g/mol.
Where can I buy 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate?
You can request a quote for 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Azabicyclo(2.2.2)octan-6-ol, 2-methyl-6-trans-phenyl-, cis-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.