Quinuclidinyl benzilate, (+)-
TL;DR: Quinuclidinyl benzilate, (+)- (CAS 62869-68-5) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 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] 2-hydroxy-2,2-diphenylacetate
Also Known As: Quinuclidinyl benzilate, (+)-, (S)-3-Quinuclidinyl benzilate, (+)-3-Quinuclidinyl benzilate, (S)-(+)-Qnb, (+)-quinuclidinyl benzilate
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 62869-68-5 |
|---|---|
| SMILES | C1CN2CCC1[C@@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | HGMITUYOCPPQLE-LJQANCHMSA-N |
Product Overview
Quinuclidinyl benzilate, (+)- (CAS 62869-68-5), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Quinuclidinyl benzilate, (+)-
Property Insights of Quinuclidinyl benzilate, (+)-
The XLogP value of 3.3 indicates that Quinuclidinyl benzilate, (+)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Quinuclidinyl benzilate, (+)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinyl benzilate, (+)- 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 Quinuclidinyl benzilate, (+)-?
The CAS number of Quinuclidinyl benzilate, (+)- is 62869-68-5.
What is the molecular formula of Quinuclidinyl benzilate, (+)-?
The molecular formula of Quinuclidinyl benzilate, (+)- is C21H23NO3.
What is the molecular weight of Quinuclidinyl benzilate, (+)-?
The molecular weight of Quinuclidinyl benzilate, (+)- is 337.17 g/mol.
Where can I buy Quinuclidinyl benzilate, (+)-?
You can request a quote for Quinuclidinyl benzilate, (+)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinyl benzilate, (+)-?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinyl benzilate, (+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.