17-Iodovinyl-11-methoxyestradiol-3-methyl ether
TL;DR: 17-Iodovinyl-11-methoxyestradiol-3-methyl ether (CAS 94887-70-4) is a chemical compound with molecular formula C22H29IO3 and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,11S,13S,14S,17R)-17-[(E)-2-(125I)iodoethenyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: IVMEME, 17-Iodovinyl-11-methoxyestradiol-3-methyl ether, 17-iodovinyl-11-methoxyestradiol-3-methylether, 17alpha-(125I)Iodovinyl-11beta-methoxyestradiol-3-methyl ether, (8S,9S,11S,13S,14S,17R)-17-[(E)-2-(125I)iodanylethenyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
| Molecular Formula | C22H29IO3 |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 4.856 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.1163 |
| Heavy Atoms | 26 |
| Complexity | 717.3389 |
Chemical Identifiers
| CAS Number | 94887-70-4 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(/C=C/[125I])O)CCC4=C3C=CC(=C4)OC)OC |
Product Overview
17-Iodovinyl-11-methoxyestradiol-3-methyl ether (CAS 94887-70-4), with molecular formula C22H29IO3 and molecular weight 466.12 g/mol. IUPAC: (8S,9S,11S,13S,14S,17R)-17-[(E)-2-(125I)iodoethenyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 17-Iodovinyl-11-methoxyestradiol-3-methyl ether
Property Insights of 17-Iodovinyl-11-methoxyestradiol-3-methyl ether
The XLogP value of 4.856 indicates that 17-Iodovinyl-11-methoxyestradiol-3-methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.69 Ų, 17-Iodovinyl-11-methoxyestradiol-3-methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Iodovinyl-11-methoxyestradiol-3-methyl ether has 1 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 17-Iodovinyl-11-methoxyestradiol-3-methyl ether?
The CAS number of 17-Iodovinyl-11-methoxyestradiol-3-methyl ether is 94887-70-4.
What is the molecular formula of 17-Iodovinyl-11-methoxyestradiol-3-methyl ether?
The molecular formula of 17-Iodovinyl-11-methoxyestradiol-3-methyl ether is C22H29IO3.
What is the molecular weight of 17-Iodovinyl-11-methoxyestradiol-3-methyl ether?
The molecular weight of 17-Iodovinyl-11-methoxyestradiol-3-methyl ether is 466.12 g/mol.
Where can I buy 17-Iodovinyl-11-methoxyestradiol-3-methyl ether?
You can request a quote for 17-Iodovinyl-11-methoxyestradiol-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-Iodovinyl-11-methoxyestradiol-3-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 17-Iodovinyl-11-methoxyestradiol-3-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.