17alpha-Iodoethynylestradiol
TL;DR: 17alpha-Iodoethynylestradiol (CAS 70761-64-7) is a chemical compound with molecular formula C20H23IO2 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17alpha-Iodoethynylestradiol, I-EE2, 17 alpha-iodoethynylestradiol, 17-(iodoethynyl)estra-1,3,5(10)-triene-3,17-diol, SID:53787615
| Molecular Formula | C20H23IO2 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 422.07428 |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 70761-64-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#CI)O)CCC4=C3C=CC(=C4)O |
| InChIKey | BFZXFQZXTCAFIG-WYGKVCCSSA-N |
Product Overview
17alpha-Iodoethynylestradiol (CAS 70761-64-7), with molecular formula C20H23IO2 and molecular weight 422.07 g/mol. IUPAC: (8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17alpha-Iodoethynylestradiol
Property Insights of 17alpha-Iodoethynylestradiol
The XLogP value of 4.5 indicates that 17alpha-Iodoethynylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 17alpha-Iodoethynylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17alpha-Iodoethynylestradiol 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-Iodoethynylestradiol?
The CAS number of 17alpha-Iodoethynylestradiol is 70761-64-7.
What is the molecular formula of 17alpha-Iodoethynylestradiol?
The molecular formula of 17alpha-Iodoethynylestradiol is C20H23IO2.
What is the molecular weight of 17alpha-Iodoethynylestradiol?
The molecular weight of 17alpha-Iodoethynylestradiol is 422.07 g/mol.
Where can I buy 17alpha-Iodoethynylestradiol?
You can request a quote for 17alpha-Iodoethynylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17alpha-Iodoethynylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 17alpha-Iodoethynylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.