17-Bromoethinylestradiol
TL;DR: 17-Bromoethinylestradiol (CAS 85179-66-4) is a chemical compound with molecular formula C20H23BrO and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-17-bromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
Also Known As: 17-Bromoethinylestradiol, 17alpha-Bromoethynylestradiol, 17 alpha-bromoethynylestradiol, 19-Norpregna-1,3,5(10)-trien-20-yn-3-ol, 17-bromo-, (8R,9S,13S,14S,17S)-17-bromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C20H23BrO |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 358.09323 |
| Heavy Atoms | 22 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 85179-66-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)Br)CCC4=C3C=CC(=C4)O |
| InChIKey | WWRWYXVMNLDXOE-SWBPCFCJSA-N |
Product Overview
17-Bromoethinylestradiol (CAS 85179-66-4), with molecular formula C20H23BrO and molecular weight 358.09 g/mol. IUPAC: (8R,9S,13S,14S,17S)-17-bromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 17-Bromoethinylestradiol
Property Insights of 17-Bromoethinylestradiol
The XLogP value of 5.1 indicates that 17-Bromoethinylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 17-Bromoethinylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Bromoethinylestradiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Bromoethinylestradiol?
The CAS number of 17-Bromoethinylestradiol is 85179-66-4.
What is the molecular formula of 17-Bromoethinylestradiol?
The molecular formula of 17-Bromoethinylestradiol is C20H23BrO.
What is the molecular weight of 17-Bromoethinylestradiol?
The molecular weight of 17-Bromoethinylestradiol is 358.09 g/mol.
Where can I buy 17-Bromoethinylestradiol?
You can request a quote for 17-Bromoethinylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Bromoethinylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 17-Bromoethinylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.