Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-
TL;DR: Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- (CAS 85853-22-1) is a chemical compound with molecular formula C18H23IO2 and molecular weight 394.08 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-(123I)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-Iodoestradiol I-123, 16.ALPHA.-IODOESTRADIOL I-123, Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-, 16-(~123~I)Iodoestra-1(10),2,4-triene-3,17-diol
| Molecular Formula | C18H23IO2 |
|---|---|
| Molecular Weight | 394.08 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 | 394.07538 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 85853-22-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)[123I])CCC4=C3C=CC(=C4)O |
| InChIKey | SSYGGPAGDDGXAF-WABVTALQSA-N |
Product Overview
Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- (CAS 85853-22-1), with molecular formula C18H23IO2 and molecular weight 394.08 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-16-(123I)iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-
Property Insights of Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-
The XLogP value of 4.7 indicates that Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- 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 Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- is 85853-22-1.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- is C18H23IO2.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- is 394.08 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)-?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-123I)-, (16alpha,17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.