4'-Iodococaine
TL;DR: 4'-Iodococaine (CAS 141120-39-0) is a chemical compound with molecular formula C17H20INO4 and molecular weight 429.0437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: 4'-Iodococaine, 4 -Iodococaine, 125I-4'-Iodococaine, Ecgonine 4-iodobenzoate methyl ester, Methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Technical Specifications
| Molecular Formula | C17H20INO4 |
| Molecular Weight | 429.0437 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.0437 Da |
| Heavy Atoms | 23 |
| Complexity | 464.0 |
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=C(C=C3)I)C(=O)OC |
| InChIKey | BRRFCLVJGYVEQO-LJISPDSOSA-N |
Chemical Property Profile of 4'-Iodococaine
Property Insights of 4'-Iodococaine
The XLogP value of 3.0 indicates that 4'-Iodococaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 4'-Iodococaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Iodococaine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Iodococaine?
The CAS number of 4'-Iodococaine is 141120-39-0.
What is the molecular formula of 4'-Iodococaine?
The molecular formula of 4'-Iodococaine is C17H20INO4.
What is the molecular weight of 4'-Iodococaine?
The molecular weight of 4'-Iodococaine is 429.0437 g/mol.
Where can I buy 4'-Iodococaine?
You can request a quote for 4'-Iodococaine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Iodococaine?
Yes, CoreyChem provides custom synthesis services for 4'-Iodococaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.