16alpha-Bromoacetoxyestradiol-3-methyl ether
TL;DR: 16alpha-Bromoacetoxyestradiol-3-methyl ether (CAS 57456-71-0) is a chemical compound with molecular formula C21H27BrO4 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,16R,17R)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate
Also Known As: Cid 66404, 16alpha-Bromoacetoxyestradiol-3-methyl ether, Clofibrate-inositol hexanicotinate mixture, [(8R,9S,13S,14S,16R,17R)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate, 17-Hydroxy-3-methoxyestra-1(10),2,4-trien-16-yl bromoacetate
| Molecular Formula | C21H27BrO4 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.10928 |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 57456-71-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)OC(=O)CBr)CCC4=C3C=CC(=C4)OC |
| InChIKey | WXFJKUDDKZJIRY-ORJOSYTKSA-N |
Product Overview
16alpha-Bromoacetoxyestradiol-3-methyl ether (CAS 57456-71-0), with molecular formula C21H27BrO4 and molecular weight 422.11 g/mol. IUPAC: [(8R,9S,13S,14S,16R,17R)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate.
Chemical Property Profile of 16alpha-Bromoacetoxyestradiol-3-methyl ether
Property Insights of 16alpha-Bromoacetoxyestradiol-3-methyl ether
The XLogP value of 4.1 indicates that 16alpha-Bromoacetoxyestradiol-3-methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 16alpha-Bromoacetoxyestradiol-3-methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16alpha-Bromoacetoxyestradiol-3-methyl ether has 1 hydrogen bond donor(s) and 4 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 16alpha-Bromoacetoxyestradiol-3-methyl ether?
The CAS number of 16alpha-Bromoacetoxyestradiol-3-methyl ether is 57456-71-0.
What is the molecular formula of 16alpha-Bromoacetoxyestradiol-3-methyl ether?
The molecular formula of 16alpha-Bromoacetoxyestradiol-3-methyl ether is C21H27BrO4.
What is the molecular weight of 16alpha-Bromoacetoxyestradiol-3-methyl ether?
The molecular weight of 16alpha-Bromoacetoxyestradiol-3-methyl ether is 422.11 g/mol.
Where can I buy 16alpha-Bromoacetoxyestradiol-3-methyl ether?
You can request a quote for 16alpha-Bromoacetoxyestradiol-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 16alpha-Bromoacetoxyestradiol-3-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Bromoacetoxyestradiol-3-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.