Iodoacetyldiethylstilbestrol
TL;DR: Iodoacetyldiethylstilbestrol (CAS 66463-48-7) is a chemical compound with molecular formula C20H21IO3 and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] 2-iodoacetate
Also Known As: Iodoacetyldiethylstilbestrol, Acetic acid, iodo-, 4-(1-ethyl-2-(4-hydroxyphenyl)-1-butenyl)phenyl ester, (E)-, [4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] 2-iodoacetate, RefChem:148506
| Molecular Formula | C20H21IO3 |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 5.4634 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.05353 |
| Heavy Atoms | 24 |
| Complexity | 715.55414 |
Chemical Identifiers
| CAS Number | 66463-48-7 |
|---|---|
| SMILES | CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)CI)/C2=CC=C(C=C2)O |
Product Overview
Iodoacetyldiethylstilbestrol (CAS 66463-48-7), with molecular formula C20H21IO3 and molecular weight 436.05 g/mol. IUPAC: [4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] 2-iodoacetate.
Chemical Property Profile of Iodoacetyldiethylstilbestrol
Property Insights of Iodoacetyldiethylstilbestrol
The XLogP value of 5.4634 indicates that Iodoacetyldiethylstilbestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Iodoacetyldiethylstilbestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodoacetyldiethylstilbestrol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iodoacetyldiethylstilbestrol?
The CAS number of Iodoacetyldiethylstilbestrol is 66463-48-7.
What is the molecular formula of Iodoacetyldiethylstilbestrol?
The molecular formula of Iodoacetyldiethylstilbestrol is C20H21IO3.
What is the molecular weight of Iodoacetyldiethylstilbestrol?
The molecular weight of Iodoacetyldiethylstilbestrol is 436.05 g/mol.
Where can I buy Iodoacetyldiethylstilbestrol?
You can request a quote for Iodoacetyldiethylstilbestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodoacetyldiethylstilbestrol?
Yes, KEHONG BIO provides custom synthesis services for Iodoacetyldiethylstilbestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.