3-Quinuclidinyl-4-iodobenzilate
TL;DR: 3-Quinuclidinyl-4-iodobenzilate (CAS 81381-93-3) is a chemical compound with molecular formula C21H22INO3 and molecular weight 463.06445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-(4-iodophenyl)-2-phenylacetate
Also Known As: Iodine-123-iqnb, 1-Ahip, 4-Iqnb, 3-quinuclidinyl-4-iodobenzilate, IQNB
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H22INO3 |
| Molecular Weight | 463.06445 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.06445 Da |
| Heavy Atoms | 26 |
| Complexity | 493.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)I)O |
| InChIKey | MHBGDNWDRYOZPX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Quinuclidinyl-4-iodobenzilate
Property Insights of 3-Quinuclidinyl-4-iodobenzilate
The XLogP value of 3.9 indicates that 3-Quinuclidinyl-4-iodobenzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Quinuclidinyl-4-iodobenzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidinyl-4-iodobenzilate 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
What is the CAS number of 3-Quinuclidinyl-4-iodobenzilate?
The CAS number of 3-Quinuclidinyl-4-iodobenzilate is 81381-93-3.
What is the molecular formula of 3-Quinuclidinyl-4-iodobenzilate?
The molecular formula of 3-Quinuclidinyl-4-iodobenzilate is C21H22INO3.
What is the molecular weight of 3-Quinuclidinyl-4-iodobenzilate?
The molecular weight of 3-Quinuclidinyl-4-iodobenzilate is 463.06445 g/mol.
Where can I buy 3-Quinuclidinyl-4-iodobenzilate?
You can request a quote for 3-Quinuclidinyl-4-iodobenzilate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Quinuclidinyl-4-iodobenzilate?
Yes, CoreyChem provides custom synthesis services for 3-Quinuclidinyl-4-iodobenzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.