![Ioflupane ( [INN:BAN] structure](/static/products/1557/155797-99-2.webp)
Ioflupane ( [INN:BAN]
TL;DR: Ioflupane ( [INN:BAN] (CAS 155797-99-2) is a chemical compound with molecular formula C18H23FINO2 and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Ioflupane ( [INN:BAN], Methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylatato(2-), methyl (1R,2S,3S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate, methyl (3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
| Molecular Formula | C18H23FINO2 |
|---|---|
| Molecular Weight | 431.08 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 | 431.07574 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 155797-99-2 |
|---|---|
| SMILES | COC(=O)[C@@H]1[C@H]2CCC(N2CCCF)C[C@@H]1C3=CC=C(C=C3)I |
| InChIKey | HXWLAJVUJSVENX-IFFAKLHKSA-N |
Product Overview
Ioflupane ( [INN:BAN] (CAS 155797-99-2), with molecular formula C18H23FINO2 and molecular weight 431.08 g/mol. IUPAC: methyl (1R,2S,3S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of Ioflupane ( [INN:BAN]
Property Insights of Ioflupane ( [INN:BAN]
The XLogP value of 4.0 indicates that Ioflupane ( [INN:BAN] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ioflupane ( [INN:BAN] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ioflupane ( [INN:BAN] 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 Ioflupane ( [INN:BAN]?
The CAS number of Ioflupane ( [INN:BAN] is 155797-99-2.
What is the molecular formula of Ioflupane ( [INN:BAN]?
The molecular formula of Ioflupane ( [INN:BAN] is C18H23FINO2.
What is the molecular weight of Ioflupane ( [INN:BAN]?
The molecular weight of Ioflupane ( [INN:BAN] is 431.08 g/mol.
Where can I buy Ioflupane ( [INN:BAN]?
You can request a quote for Ioflupane ( [INN:BAN] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ioflupane ( [INN:BAN]?
Yes, KEHONG BIO provides custom synthesis services for Ioflupane ( [INN:BAN] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.