3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A
TL;DR: 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A (CAS 101931-97-9) is a chemical compound with molecular formula C20H28ClNO3 and molecular weight 365.18 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 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
Also Known As: 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A, Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester, hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 2-(1-hydroxycyclopentyl)-2-phenylacetate hydrochloride, 1-Azabicyclo[2.2.2]octan-3-yl (1-hydroxycyclopentyl)(phenyl)acetate--hydrogen chloride (1/1), RefChem:335897
| Molecular Formula | C20H28ClNO3 |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 3.1345 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.17578 |
| Heavy Atoms | 25 |
| Complexity | 579.8639 |
Chemical Identifiers
| CAS Number | 101931-97-9 |
|---|---|
| SMILES | C1CCC(C1)(C(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4)O.Cl |
Product Overview
3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A (CAS 101931-97-9), with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride.
Chemical Property Profile of 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A
Property Insights of 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A
The XLogP value of 3.1345 indicates that 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A 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-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A?
The CAS number of 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A is 101931-97-9.
What is the molecular formula of 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A?
The molecular formula of 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A is C20H28ClNO3.
What is the molecular weight of 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A?
The molecular weight of 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A is 365.18 g/mol.
Where can I buy 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A?
You can request a quote for 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.