21-Chloro-21-iodovinylestradiol
TL;DR: 21-Chloro-21-iodovinylestradiol (CAS 151986-79-7) is a chemical compound with molecular formula C20H24ClIO2 and molecular weight 458.05 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-chloro-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 21-Cl-Ive2, 21-Chloro-21-iodovinylestradiol, (17alpha,20Z-Chloro)-21-chloro-21-iodovinylestradiol, (8R,9S,13S,14S)-17-[(E)-2-chloro-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, RefChem:89626
| Molecular Formula | C20H24ClIO2 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 5.4946 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.05096 |
| Heavy Atoms | 24 |
| Complexity | 698.87933 |
Chemical Identifiers
| CAS Number | 151986-79-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(/C=C(\Cl)/I)O)CCC4=C3C=CC(=C4)O |
Product Overview
21-Chloro-21-iodovinylestradiol (CAS 151986-79-7), with molecular formula C20H24ClIO2 and molecular weight 458.05 g/mol. IUPAC: (8R,9S,13S,14S)-17-[(E)-2-chloro-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 21-Chloro-21-iodovinylestradiol
Property Insights of 21-Chloro-21-iodovinylestradiol
The XLogP value of 5.4946 indicates that 21-Chloro-21-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, 21-Chloro-21-iodovinylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Chloro-21-iodovinylestradiol has 2 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 21-Chloro-21-iodovinylestradiol?
The CAS number of 21-Chloro-21-iodovinylestradiol is 151986-79-7.
What is the molecular formula of 21-Chloro-21-iodovinylestradiol?
The molecular formula of 21-Chloro-21-iodovinylestradiol is C20H24ClIO2.
What is the molecular weight of 21-Chloro-21-iodovinylestradiol?
The molecular weight of 21-Chloro-21-iodovinylestradiol is 458.05 g/mol.
Where can I buy 21-Chloro-21-iodovinylestradiol?
You can request a quote for 21-Chloro-21-iodovinylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Chloro-21-iodovinylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 21-Chloro-21-iodovinylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.