17-Iodovinylestradiol-3-methyl ether
TL;DR: 17-Iodovinylestradiol-3-methyl ether (CAS 85549-75-3) is a chemical compound with molecular formula C21H27IO2 and molecular weight 436.11 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]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: IVEME, 17-Iodovinylestradiol-3-methyl ether, 17alpha-(125I)Iodovinylestradiol-3-methyl ether, 19-Norpregna-1,3,5(10),20-tetraen-17-ol, 21-(iodo-125I)-3-methoxy-, (17alpha,20E)-, (8R,9S,13S,14S)-17-[(E)-2-(125I)iodanylethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
| Molecular Formula | C21H27IO2 |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 5.2311 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.10574 |
| Heavy Atoms | 24 |
| Complexity | 669.8026 |
Chemical Identifiers
| CAS Number | 85549-75-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(/C=C/[125I])O)CCC4=C3C=CC(=C4)OC |
Product Overview
17-Iodovinylestradiol-3-methyl ether (CAS 85549-75-3), with molecular formula C21H27IO2 and molecular weight 436.11 g/mol. IUPAC: (8R,9S,13S,14S)-17-[(E)-2-(125I)iodoethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 17-Iodovinylestradiol-3-methyl ether
Property Insights of 17-Iodovinylestradiol-3-methyl ether
The XLogP value of 5.2311 indicates that 17-Iodovinylestradiol-3-methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.46 Ų, 17-Iodovinylestradiol-3-methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Iodovinylestradiol-3-methyl ether has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Iodovinylestradiol-3-methyl ether?
The CAS number of 17-Iodovinylestradiol-3-methyl ether is 85549-75-3.
What is the molecular formula of 17-Iodovinylestradiol-3-methyl ether?
The molecular formula of 17-Iodovinylestradiol-3-methyl ether is C21H27IO2.
What is the molecular weight of 17-Iodovinylestradiol-3-methyl ether?
The molecular weight of 17-Iodovinylestradiol-3-methyl ether is 436.11 g/mol.
Where can I buy 17-Iodovinylestradiol-3-methyl ether?
You can request a quote for 17-Iodovinylestradiol-3-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Iodovinylestradiol-3-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 17-Iodovinylestradiol-3-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.