Quinuclidin-3-yl 3-phenylpropanoate hydrochloride
TL;DR: Quinuclidin-3-yl 3-phenylpropanoate hydrochloride (CAS 110442-27-8) is a chemical compound with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl 3-phenylpropanoate;hydrochloride
Also Known As: quinuclidin-3-yl 3-phenylpropanoate hydrochloride, 1-azabicyclo[2.2.2]oct-8-yl 3-phenylpropanoate Hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 3-phenylpropanoate hydrochloride
| Molecular Formula | C16H22ClNO2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.6784 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1339 |
| Heavy Atoms | 20 |
| Complexity | 429.36282 |
Chemical Identifiers
| CAS Number | 110442-27-8 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)CCC3=CC=CC=C3.Cl |
Product Overview
Quinuclidin-3-yl 3-phenylpropanoate hydrochloride (CAS 110442-27-8), with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 3-phenylpropanoate;hydrochloride.
Chemical Property Profile of Quinuclidin-3-yl 3-phenylpropanoate hydrochloride
Property Insights of Quinuclidin-3-yl 3-phenylpropanoate hydrochloride
The XLogP value of 2.6784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidin-3-yl 3-phenylpropanoate hydrochloride. With a topological polar surface area (TPSA) of 29.54 Ų, Quinuclidin-3-yl 3-phenylpropanoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidin-3-yl 3-phenylpropanoate hydrochloride 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 Quinuclidin-3-yl 3-phenylpropanoate hydrochloride?
The CAS number of Quinuclidin-3-yl 3-phenylpropanoate hydrochloride is 110442-27-8.
What is the molecular formula of Quinuclidin-3-yl 3-phenylpropanoate hydrochloride?
The molecular formula of Quinuclidin-3-yl 3-phenylpropanoate hydrochloride is C16H22ClNO2.
What is the molecular weight of Quinuclidin-3-yl 3-phenylpropanoate hydrochloride?
The molecular weight of Quinuclidin-3-yl 3-phenylpropanoate hydrochloride is 295.13 g/mol.
Where can I buy Quinuclidin-3-yl 3-phenylpropanoate hydrochloride?
You can request a quote for Quinuclidin-3-yl 3-phenylpropanoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidin-3-yl 3-phenylpropanoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidin-3-yl 3-phenylpropanoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.