1-Iodohexestrol
TL;DR: 1-Iodohexestrol (CAS 55508-15-1) is a chemical compound with molecular formula C18H20I2O2 and molecular weight 521.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3S,4R)-4-(4-hydroxy-3-iodophenyl)hexan-3-yl]-2-iodophenol
Also Known As: 1-Iodohexestrol, 3,3'-Diiodohexestrol, meso-3,4-bis-(4-hydroxy-3-iodo-phenyl)-hexane, Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-iodo-, (R*,S*)-, 4-[(3S,4R)-4-(4-hydroxy-3-iodophenyl)hexan-3-yl]-2-iodophenol
| Molecular Formula | C18H20I2O2 |
|---|---|
| Molecular Weight | 521.96 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.95526 |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 55508-15-1 |
|---|---|
| SMILES | CC[C@H](C1=CC(=C(C=C1)O)I)[C@@H](CC)C2=CC(=C(C=C2)O)I |
| InChIKey | JHLLTEJRPPJGGQ-OKILXGFUSA-N |
Product Overview
1-Iodohexestrol (CAS 55508-15-1), with molecular formula C18H20I2O2 and molecular weight 521.96 g/mol. IUPAC: 4-[(3S,4R)-4-(4-hydroxy-3-iodophenyl)hexan-3-yl]-2-iodophenol.
Chemical Property Profile of 1-Iodohexestrol
Property Insights of 1-Iodohexestrol
The XLogP value of 6.5 indicates that 1-Iodohexestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Iodohexestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodohexestrol has 2 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 1-Iodohexestrol?
The CAS number of 1-Iodohexestrol is 55508-15-1.
What is the molecular formula of 1-Iodohexestrol?
The molecular formula of 1-Iodohexestrol is C18H20I2O2.
What is the molecular weight of 1-Iodohexestrol?
The molecular weight of 1-Iodohexestrol is 521.96 g/mol.
Where can I buy 1-Iodohexestrol?
You can request a quote for 1-Iodohexestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodohexestrol?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodohexestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.