Quinuclidinol, tropate, hydrochloride
TL;DR: Quinuclidinol, tropate, hydrochloride (CAS 73873-84-4) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.13 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-hydroxy-2-phenylpropanoate;hydrochloride
Also Known As: Quinuclidinol, tropate, hydrochloride, Ro 2-3408, 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate hydrochloride, 1-Azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 1-azabicyclo[2.2.2]oct-3-yl ester, hydrochloride
| Molecular Formula | C16H22ClNO3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 1.8217 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1288 |
| Heavy Atoms | 21 |
| Complexity | 459.8497 |
Chemical Identifiers
| CAS Number | 73873-84-4 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(CO)C3=CC=CC=C3.Cl |
Product Overview
Quinuclidinol, tropate, hydrochloride (CAS 73873-84-4), with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate;hydrochloride.
Chemical Property Profile of Quinuclidinol, tropate, hydrochloride
Property Insights of Quinuclidinol, tropate, hydrochloride
The XLogP value of 1.8217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidinol, tropate, hydrochloride. With a topological polar surface area (TPSA) of 49.77 Ų, Quinuclidinol, tropate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinol, tropate, hydrochloride 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 Quinuclidinol, tropate, hydrochloride?
The CAS number of Quinuclidinol, tropate, hydrochloride is 73873-84-4.
What is the molecular formula of Quinuclidinol, tropate, hydrochloride?
The molecular formula of Quinuclidinol, tropate, hydrochloride is C16H22ClNO3.
What is the molecular weight of Quinuclidinol, tropate, hydrochloride?
The molecular weight of Quinuclidinol, tropate, hydrochloride is 311.13 g/mol.
Where can I buy Quinuclidinol, tropate, hydrochloride?
You can request a quote for Quinuclidinol, tropate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinol, tropate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinol, tropate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.