18F-FPCIT
TL;DR: 18F-FPCIT (CAS 186381-69-1) is a chemical compound with molecular formula C18H23FINO2 and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(3-(18F)fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: 18F-FPCIT, Ioflupane ( [INN:BAN], methyl 8-(3-fluoranylpropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
| Molecular Formula | C18H23FINO2 |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.07828 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 186381-69-1 |
|---|---|
| SMILES | COC(=O)C1C2CCC(N2CCC[18F])CC1C3=CC=C(C=C3)I |
| InChIKey | HXWLAJVUJSVENX-AWDFDDCISA-N |
Product Overview
18F-FPCIT (CAS 186381-69-1), with molecular formula C18H23FINO2 and molecular weight 430.08 g/mol. IUPAC: methyl 8-(3-(18F)fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 18F-FPCIT
Property Insights of 18F-FPCIT
The XLogP value of 4.0 indicates that 18F-FPCIT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 18F-FPCIT exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 18F-FPCIT has 0 hydrogen bond donor(s) and 4 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 18F-FPCIT?
The CAS number of 18F-FPCIT is 186381-69-1.
What is the molecular formula of 18F-FPCIT?
The molecular formula of 18F-FPCIT is C18H23FINO2.
What is the molecular weight of 18F-FPCIT?
The molecular weight of 18F-FPCIT is 430.08 g/mol.
Where can I buy 18F-FPCIT?
You can request a quote for 18F-FPCIT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18F-FPCIT?
Yes, KEHONG BIO provides custom synthesis services for 18F-FPCIT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.