3-Quinuclidinol, 2-ethyl-, benzilate (ester)
TL;DR: 3-Quinuclidinol, 2-ethyl-, benzilate (ester) (CAS 102338-77-2) is a chemical compound with molecular formula C23H27NO3 and molecular weight 365.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: 2-Ethyl-3-quinuclidyl benzilate, 3-Quinuclidinol, 2-ethyl-, benzilate (ester), Benzilic acid 2-ethylquinuclidin-3-yl ester, 2-Ethyl-1-azabicyclo[2.2.2]octan-3-yl hydroxy(diphenyl)acetate, 2-Ethyl-1-azabicyclo[2.2.2]octan-3-yl hydroxydi(phenyl)acetate
| Molecular Formula | C23H27NO3 |
|---|---|
| Molecular Weight | 365.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.1991 |
| Heavy Atoms | 27 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 102338-77-2 |
|---|---|
| SMILES | CCC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | UWUJLHYQCAEYBJ-UHFFFAOYSA-N |
Product Overview
3-Quinuclidinol, 2-ethyl-, benzilate (ester) (CAS 102338-77-2), with molecular formula C23H27NO3 and molecular weight 365.20 g/mol. IUPAC: (2-ethyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 3-Quinuclidinol, 2-ethyl-, benzilate (ester)
Property Insights of 3-Quinuclidinol, 2-ethyl-, benzilate (ester)
The XLogP value of 4.2 indicates that 3-Quinuclidinol, 2-ethyl-, benzilate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Quinuclidinol, 2-ethyl-, benzilate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidinol, 2-ethyl-, benzilate (ester) has 1 hydrogen bond donor(s) and 4 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 3-Quinuclidinol, 2-ethyl-, benzilate (ester)?
The CAS number of 3-Quinuclidinol, 2-ethyl-, benzilate (ester) is 102338-77-2.
What is the molecular formula of 3-Quinuclidinol, 2-ethyl-, benzilate (ester)?
The molecular formula of 3-Quinuclidinol, 2-ethyl-, benzilate (ester) is C23H27NO3.
What is the molecular weight of 3-Quinuclidinol, 2-ethyl-, benzilate (ester)?
The molecular weight of 3-Quinuclidinol, 2-ethyl-, benzilate (ester) is 365.20 g/mol.
Where can I buy 3-Quinuclidinol, 2-ethyl-, benzilate (ester)?
You can request a quote for 3-Quinuclidinol, 2-ethyl-, benzilate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidinol, 2-ethyl-, benzilate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidinol, 2-ethyl-, benzilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.