RefChem:1088813
TL;DR: RefChem:1088813 (CAS 101710-89-8) is a chemical compound with molecular formula C22H30ClNO3 and molecular weight 391.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: Mandelic acid, alpha-cyclopentyl-, 2-(3-quinuclidinylene)ethyl ester, hydrochloride, delta(sup 3,beta)-Quinuclidineethyl-alpha-cyclopentyl-alpha-phenylglycolate hydrochloride, [(2E)-2-(1-azoniabicyclo[2.2.2]oct-3-ylidene)ethyl] 2-cyclopentyl-2-hy droxy-2-phenyl-acetate chlori, [(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride, (1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
| Molecular Formula | C22H30ClNO3 |
|---|---|
| Molecular Weight | 391.19 g/mol |
| LogP | -1.1535 |
| Topological Polar Surface Area | 50.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1914 |
| Heavy Atoms | 27 |
| Complexity | 663.39526 |
Chemical Identifiers
| CAS Number | 101710-89-8 |
|---|---|
| SMILES | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC/C=C\3/C[NH+]4CCC3CC4)O.[Cl-] |
Product Overview
RefChem:1088813 (CAS 101710-89-8), with molecular formula C22H30ClNO3 and molecular weight 391.19 g/mol. IUPAC: [(2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1088813
Property Insights of RefChem:1088813
The XLogP value of -1.1535 indicates that RefChem:1088813 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.97 Ų, RefChem:1088813 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1088813 has 2 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 RefChem:1088813?
The CAS number of RefChem:1088813 is 101710-89-8.
What is the molecular formula of RefChem:1088813?
The molecular formula of RefChem:1088813 is C22H30ClNO3.
What is the molecular weight of RefChem:1088813?
The molecular weight of RefChem:1088813 is 391.19 g/mol.
Where can I buy RefChem:1088813?
You can request a quote for RefChem:1088813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088813?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.