3-Deoxy-3-(p-iodophenyl) a-Ecgonine
TL;DR: 3-Deoxy-3-(p-iodophenyl) a-Ecgonine (CAS 141807-60-5) is a chemical compound with molecular formula C18H25ClINO2 and molecular weight 449.06186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: 3-Deoxy-3-(p-iodophenyl) a-Ecgonine
Technical Specifications
| Molecular Formula | C18H25ClINO2 |
| Molecular Weight | 449.06186 g/mol |
| XLogP | 4.2309 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.06186 Da |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
| SMILES | CC(C)OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC=C(C=C3)I.Cl |
| InChIKey | NMCJMIIEVMUGNK-IZGDKEGKSA-N |
Chemical Property Profile of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine
Property Insights of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine
The XLogP value of 4.2309 indicates that 3-Deoxy-3-(p-iodophenyl) a-Ecgonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Deoxy-3-(p-iodophenyl) a-Ecgonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Deoxy-3-(p-iodophenyl) a-Ecgonine 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
What is the CAS number of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine?
The CAS number of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine is 141807-60-5.
What is the molecular formula of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine?
The molecular formula of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine is C18H25ClINO2.
What is the molecular weight of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine?
The molecular weight of 3-Deoxy-3-(p-iodophenyl) a-Ecgonine is 449.06186 g/mol.
Where can I buy 3-Deoxy-3-(p-iodophenyl) a-Ecgonine?
You can request a quote for 3-Deoxy-3-(p-iodophenyl) a-Ecgonine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Deoxy-3-(p-iodophenyl) a-Ecgonine?
Yes, CoreyChem provides custom synthesis services for 3-Deoxy-3-(p-iodophenyl) a-Ecgonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.