17alpha-Iodovinylestradiol
TL;DR: 17alpha-Iodovinylestradiol (CAS 82123-96-4) is a chemical compound with molecular formula C20H25IO2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-17-[(E)-2-(125I)iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17-IV-Estradiol, 17alpha-Iodovinylestradiol, 17 Alpha-iodovinylestradiol, (8R,9S,13S,14S)-17-[(E)-2-(125I)iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, (8R,9S,13S,14S)-17-[(E)-2-iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C20H25IO2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.9281 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 422.0901 |
| Heavy Atoms | 23 |
| Complexity | 655.0418 |
Chemical Identifiers
| CAS Number | 82123-96-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(/C=C/[125I])O)CCC4=C3C=CC(=C4)O |
Product Overview
17alpha-Iodovinylestradiol (CAS 82123-96-4), with molecular formula C20H25IO2 and molecular weight 422.09 g/mol. IUPAC: (8R,9S,13S,14S)-17-[(E)-2-(125I)iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17alpha-Iodovinylestradiol
Property Insights of 17alpha-Iodovinylestradiol
The XLogP value of 4.9281 indicates that 17alpha-Iodovinylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 17alpha-Iodovinylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17alpha-Iodovinylestradiol 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 17alpha-Iodovinylestradiol?
The CAS number of 17alpha-Iodovinylestradiol is 82123-96-4.
What is the molecular formula of 17alpha-Iodovinylestradiol?
The molecular formula of 17alpha-Iodovinylestradiol is C20H25IO2.
What is the molecular weight of 17alpha-Iodovinylestradiol?
The molecular weight of 17alpha-Iodovinylestradiol is 422.09 g/mol.
Where can I buy 17alpha-Iodovinylestradiol?
You can request a quote for 17alpha-Iodovinylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17alpha-Iodovinylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 17alpha-Iodovinylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.