2,4-Dibromo-17-ethynyl(6,7)estradiol
TL;DR: 2,4-Dibromo-17-ethynyl(6,7)estradiol (CAS 79769-52-1) is a chemical compound with molecular formula C20H22Br2O2 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17R)-2,4-dibromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 3H-2,4-Dbee2, 2,4-Dibromoethynylestradiol, 2,4-Dibromo-17-ethynyl(6,7)estradiol, 2,4-dibromo-17, A-ethynylestradiol
| Molecular Formula | C20H22Br2O2 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 453.9966 |
| Heavy Atoms | 24 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 79769-52-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C(C(=C(C=C34)Br)O)Br |
| InChIKey | TVZPJONPQWRVQV-QEIBRJLASA-N |
Product Overview
2,4-Dibromo-17-ethynyl(6,7)estradiol (CAS 79769-52-1), with molecular formula C20H22Br2O2 and molecular weight 452.00 g/mol. IUPAC: (8R,9S,13S,14S,17R)-2,4-dibromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 2,4-Dibromo-17-ethynyl(6,7)estradiol
Property Insights of 2,4-Dibromo-17-ethynyl(6,7)estradiol
The XLogP value of 5.1 indicates that 2,4-Dibromo-17-ethynyl(6,7)estradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2,4-Dibromo-17-ethynyl(6,7)estradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromo-17-ethynyl(6,7)estradiol 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 2,4-Dibromo-17-ethynyl(6,7)estradiol?
The CAS number of 2,4-Dibromo-17-ethynyl(6,7)estradiol is 79769-52-1.
What is the molecular formula of 2,4-Dibromo-17-ethynyl(6,7)estradiol?
The molecular formula of 2,4-Dibromo-17-ethynyl(6,7)estradiol is C20H22Br2O2.
What is the molecular weight of 2,4-Dibromo-17-ethynyl(6,7)estradiol?
The molecular weight of 2,4-Dibromo-17-ethynyl(6,7)estradiol is 452.00 g/mol.
Where can I buy 2,4-Dibromo-17-ethynyl(6,7)estradiol?
You can request a quote for 2,4-Dibromo-17-ethynyl(6,7)estradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dibromo-17-ethynyl(6,7)estradiol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromo-17-ethynyl(6,7)estradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.