16alpha-(125I)Iodoestradiol
TL;DR: 16alpha-(125I)Iodoestradiol (CAS 71765-93-0) is a chemical compound with molecular formula C18H23IO2 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16R,17R)-16-(125I)iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 16-Iodoestradiol, 16alpha-(125I)Iodoestradiol, 16alpha-Iodoestradiol I-125, 16alpha-Iodo-17beta-estradiol-125I, 16.ALPHA.-(125I)IODOESTRADIOL
| Molecular Formula | C18H23IO2 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 396.07443 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 71765-93-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)[125I])CCC4=C3C=CC(=C4)O |
| InChIKey | SSYGGPAGDDGXAF-AQZLPAMRSA-N |
Product Overview
16alpha-(125I)Iodoestradiol (CAS 71765-93-0), with molecular formula C18H23IO2 and molecular weight 396.07 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-16-(125I)iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 16alpha-(125I)Iodoestradiol
Property Insights of 16alpha-(125I)Iodoestradiol
The XLogP value of 4.7 indicates that 16alpha-(125I)Iodoestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 16alpha-(125I)Iodoestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16alpha-(125I)Iodoestradiol has 2 hydrogen bond donor(s) and 2 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 16alpha-(125I)Iodoestradiol?
The CAS number of 16alpha-(125I)Iodoestradiol is 71765-93-0.
What is the molecular formula of 16alpha-(125I)Iodoestradiol?
The molecular formula of 16alpha-(125I)Iodoestradiol is C18H23IO2.
What is the molecular weight of 16alpha-(125I)Iodoestradiol?
The molecular weight of 16alpha-(125I)Iodoestradiol is 396.07 g/mol.
Where can I buy 16alpha-(125I)Iodoestradiol?
You can request a quote for 16alpha-(125I)Iodoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16alpha-(125I)Iodoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-(125I)Iodoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.