17alpha-Iodoethynyl-11beta-methoxyestradiol
TL;DR: 17alpha-Iodoethynyl-11beta-methoxyestradiol (CAS 73309-87-2) is a chemical compound with molecular formula C21H25IO3 and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,11S,13S,14S)-17-(2-(125I)iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17alpha-Iodoethynyl-11beta-methoxyestradiol, Cid 67089, (8S,9S,11S,13S,14S)-17-(2-(125I)iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, (17xi)-21-(~125~I)Iodo-11beta-methoxy-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, 21-(~125~I)Iodo-11-methoxy-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol
| Molecular Formula | C21H25IO3 |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.085 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 73309-87-2 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2(C#C[125I])O)CCC4=C3C=CC(=C4)O)OC |
| InChIKey | BOSIDMZYVBWUFU-OERCHQNLSA-N |
Product Overview
17alpha-Iodoethynyl-11beta-methoxyestradiol (CAS 73309-87-2), with molecular formula C21H25IO3 and molecular weight 450.08 g/mol. IUPAC: (8S,9S,11S,13S,14S)-17-(2-(125I)iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17alpha-Iodoethynyl-11beta-methoxyestradiol
Property Insights of 17alpha-Iodoethynyl-11beta-methoxyestradiol
The XLogP value of 3.8 indicates that 17alpha-Iodoethynyl-11beta-methoxyestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 17alpha-Iodoethynyl-11beta-methoxyestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17alpha-Iodoethynyl-11beta-methoxyestradiol has 2 hydrogen bond donor(s) and 3 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-Iodoethynyl-11beta-methoxyestradiol?
The CAS number of 17alpha-Iodoethynyl-11beta-methoxyestradiol is 73309-87-2.
What is the molecular formula of 17alpha-Iodoethynyl-11beta-methoxyestradiol?
The molecular formula of 17alpha-Iodoethynyl-11beta-methoxyestradiol is C21H25IO3.
What is the molecular weight of 17alpha-Iodoethynyl-11beta-methoxyestradiol?
The molecular weight of 17alpha-Iodoethynyl-11beta-methoxyestradiol is 450.08 g/mol.
Where can I buy 17alpha-Iodoethynyl-11beta-methoxyestradiol?
You can request a quote for 17alpha-Iodoethynyl-11beta-methoxyestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17alpha-Iodoethynyl-11beta-methoxyestradiol?
Yes, KEHONG BIO provides custom synthesis services for 17alpha-Iodoethynyl-11beta-methoxyestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.