![1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate structure](/static/products/1476/147612-55-3.webp)
1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate
TL;DR: 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate (CAS 147612-55-3) is a chemical compound with molecular formula C18H22INO3 and molecular weight 427.06445 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-5-iodo-2-phenylpent-4-enoate
Also Known As: 1-azabicyclo oct-3-yl2-hydroxy-2-2-phenylacetate, 1-azabicyclo[2.2.2]oct-3-yl alpha-hydroxy-alpha-(1-iodo-1-propen-3-yl)-phenylacetate
Technical Specifications
| Molecular Formula | C18H22INO3 |
| Molecular Weight | 427.06445 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.06445 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C(CC=CI)(C3=CC=CC=C3)O |
| InChIKey | MMUQVFDMUDOFSH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate
Property Insights of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate
The XLogP value of 3.2 indicates that 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate 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 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate?
The CAS number of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate is 147612-55-3.
What is the molecular formula of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate?
The molecular formula of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate is C18H22INO3.
What is the molecular weight of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate?
The molecular weight of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate is 427.06445 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate?
You can request a quote for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate?
Yes, CoreyChem provides custom synthesis services for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.