RefChem:378969
TL;DR: RefChem:378969 (CAS 80381-28-8) is a chemical compound with molecular formula C23H28INO3 and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-hydroxy-2,2-diphenylpropanoate iodide
Also Known As: 3-Hydroxy-1-methyl-quinuclidinium iodide 2,2-diphenyl-3-hydroxypropionate (ester), Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2,2-diphenyl-3-hydroxypropionate (ester), (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-hydroxy-2,2-diphenylpropanoate iodide, 3-[(3-Hydroxy-2,2-diphenylpropanoyl)oxy]-1-methyl-1-azabicyclo[2.2.2]octan-1-ium iodide, RefChem:378969
| Molecular Formula | C23H28INO3 |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | -0.249 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.1114 |
| Heavy Atoms | 28 |
| Complexity | 748.50946 |
Chemical Identifiers
| CAS Number | 80381-28-8 |
|---|---|
| SMILES | C[N+]12CCC(CC1)C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4.[I-] |
Product Overview
RefChem:378969 (CAS 80381-28-8), with molecular formula C23H28INO3 and molecular weight 493.11 g/mol. IUPAC: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-hydroxy-2,2-diphenylpropanoate iodide.
Chemical Property Profile of RefChem:378969
Property Insights of RefChem:378969
The XLogP value of -0.249 indicates that RefChem:378969 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.53 Ų, RefChem:378969 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378969 has 1 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:378969?
The CAS number of RefChem:378969 is 80381-28-8.
What is the molecular formula of RefChem:378969?
The molecular formula of RefChem:378969 is C23H28INO3.
What is the molecular weight of RefChem:378969?
The molecular weight of RefChem:378969 is 493.11 g/mol.
Where can I buy RefChem:378969?
You can request a quote for RefChem:378969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378969?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.