Idoxifene
TL;DR: Idoxifene (CAS 116057-75-1) is a chemical compound with molecular formula C28H30INO and molecular weight 523.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-[1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine
Also Known As: Idoxifene, Pyrrolidine, 1-[2-[4-[(1E)-1-(4-iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]-
| Molecular Formula | C28H30INO |
|---|---|
| Molecular Weight | 523.14 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.1372 |
| Heavy Atoms | 31 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 116057-75-1 |
|---|---|
| SMILES | CCC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)I)C4=CC=CC=C4 |
| InChIKey | JJKOTMDDZAJTGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Idoxifene (CAS 116057-75-1), with molecular formula C28H30INO and molecular weight 523.14 g/mol. IUPAC: 1-[2-[4-[1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine.
Chemical Property Profile of Idoxifene
Property Insights of Idoxifene
The XLogP value of 8.3 indicates that Idoxifene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Idoxifene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Idoxifene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Idoxifene?
The CAS number of Idoxifene is 116057-75-1.
What is the molecular formula of Idoxifene?
The molecular formula of Idoxifene is C28H30INO.
What is the molecular weight of Idoxifene?
The molecular weight of Idoxifene is 523.14 g/mol.
Where can I buy Idoxifene?
You can request a quote for Idoxifene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Idoxifene?
Yes, KEHONG BIO provides custom synthesis services for Idoxifene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.