(S)-3-(Benzoyloxy)quinuclidine
TL;DR: (S)-3-(Benzoyloxy)quinuclidine (CAS 221671-41-6) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] benzoate
Also Known As: Benzoclidine, (S)-3-(Benzoyloxy)quinuclidine, [(3S)-1-azabicyclo[2.2.2]octan-3-yl] benzoate
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 1.9376 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 395.94305 |
Chemical Identifiers
| CAS Number | 221671-41-6 |
|---|---|
| SMILES | C1CN2CCC1[C@@H](C2)OC(=O)C3=CC=CC=C3 |
Product Overview
(S)-3-(Benzoyloxy)quinuclidine (CAS 221671-41-6), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] benzoate.
Chemical Property Profile of (S)-3-(Benzoyloxy)quinuclidine
Property Insights of (S)-3-(Benzoyloxy)quinuclidine
The XLogP value of 1.9376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(Benzoyloxy)quinuclidine. With a topological polar surface area (TPSA) of 29.54 Ų, (S)-3-(Benzoyloxy)quinuclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-(Benzoyloxy)quinuclidine 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 (S)-3-(Benzoyloxy)quinuclidine?
The CAS number of (S)-3-(Benzoyloxy)quinuclidine is 221671-41-6.
What is the molecular formula of (S)-3-(Benzoyloxy)quinuclidine?
The molecular formula of (S)-3-(Benzoyloxy)quinuclidine is C14H17NO2.
What is the molecular weight of (S)-3-(Benzoyloxy)quinuclidine?
The molecular weight of (S)-3-(Benzoyloxy)quinuclidine is 231.13 g/mol.
Where can I buy (S)-3-(Benzoyloxy)quinuclidine?
You can request a quote for (S)-3-(Benzoyloxy)quinuclidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(Benzoyloxy)quinuclidine?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(Benzoyloxy)quinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.