Iodotamoxifen
TL;DR: Iodotamoxifen (CAS 76070-10-5) is a chemical compound with molecular formula C26H28INO and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-1,2-diphenylbut-1-enyl]-2-iodophenoxy]-N,N-dimethylethanamine
Also Known As: Iodotamoxifen, [131I]Tamoxifen, [131I]TAM, 2-[4-[(Z)-1,2-diphenylbut-1-enyl]-2-iodophenoxy]-N,N-dimethylethanamine, Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)-2-iodophenoxy)-N,N-dimethyl-, (Z)-
| Molecular Formula | C26H28INO |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 6.6007 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.12155 |
| Heavy Atoms | 29 |
| Complexity | 948.95703 |
Chemical Identifiers
| CAS Number | 76070-10-5 |
|---|---|
| SMILES | CC/C(=C(\C1=CC=CC=C1)/C2=CC(=C(C=C2)OCCN(C)C)I)/C3=CC=CC=C3 |
Product Overview
Iodotamoxifen (CAS 76070-10-5), with molecular formula C26H28INO and molecular weight 497.12 g/mol. IUPAC: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]-2-iodophenoxy]-N,N-dimethylethanamine.
Chemical Property Profile of Iodotamoxifen
Property Insights of Iodotamoxifen
The XLogP value of 6.6007 indicates that Iodotamoxifen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, Iodotamoxifen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodotamoxifen 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 Iodotamoxifen?
The CAS number of Iodotamoxifen is 76070-10-5.
What is the molecular formula of Iodotamoxifen?
The molecular formula of Iodotamoxifen is C26H28INO.
What is the molecular weight of Iodotamoxifen?
The molecular weight of Iodotamoxifen is 497.12 g/mol.
Where can I buy Iodotamoxifen?
You can request a quote for Iodotamoxifen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodotamoxifen?
Yes, KEHONG BIO provides custom synthesis services for Iodotamoxifen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.