3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B
TL;DR: 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B (CAS 101931-98-0) 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-(2-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
Also Known As: 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B, Cyclopentaneacetic acid, 2-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester, hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 2-(2-hydroxycyclopentyl)-2-phenylacetate hydrochloride, 1-Azabicyclo[2.2.2]octan-3-yl (2-hydroxycyclopentyl)(phenyl)acetate--hydrogen chloride (1/1), RefChem:335899
| Molecular Formula | C20H28ClNO3 |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 2.9904 |
| 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 | 573.56384 |
Chemical Identifiers
| CAS Number | 101931-98-0 |
|---|---|
| SMILES | C1CC(C(C1)O)C(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4.Cl |
Product Overview
3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B (CAS 101931-98-0), with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-(2-hydroxycyclopentyl)-2-phenylacetate;hydrochloride.
Chemical Property Profile of 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B
Property Insights of 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B
The XLogP value of 2.9904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B. With a topological polar surface area (TPSA) of 49.77 Ų, 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B 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 mixture B?
The CAS number of 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B is 101931-98-0.
What is the molecular formula of 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B?
The molecular formula of 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B is C20H28ClNO3.
What is the molecular weight of 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B?
The molecular weight of 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B is 365.18 g/mol.
Where can I buy 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B?
You can request a quote for 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B 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 mixture B?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride isomer mixture B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.