2,4-Dibromo-17-acetylestradiol
TL;DR: 2,4-Dibromo-17-acetylestradiol (CAS 137548-56-2) is a chemical compound with molecular formula C20H24Br2O3 and molecular weight 470.00922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(8R,9S,13S,14S,17S)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 2,4-Dbaes, 2,4-Dibromo-17-acetylestradiol, KST-1B0360, 2,4-Dibromo-17alpha-acetylestradiol, 1-[(17
Technical Specifications
| Molecular Formula | C20H24Br2O3 |
| Molecular Weight | 470.00922 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.00717 Da |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
| SMILES | CC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=C(C=C34)Br)O)Br)C)O |
| InChIKey | CSLSXWGARNSDCM-XXAPIKHISA-N |
Chemical Property Profile of 2,4-Dibromo-17-acetylestradiol
Property Insights of 2,4-Dibromo-17-acetylestradiol
The XLogP value of 4.8 indicates that 2,4-Dibromo-17-acetylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2,4-Dibromo-17-acetylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromo-17-acetylestradiol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Dibromo-17-acetylestradiol?
The CAS number of 2,4-Dibromo-17-acetylestradiol is 137548-56-2.
What is the molecular formula of 2,4-Dibromo-17-acetylestradiol?
The molecular formula of 2,4-Dibromo-17-acetylestradiol is C20H24Br2O3.
What is the molecular weight of 2,4-Dibromo-17-acetylestradiol?
The molecular weight of 2,4-Dibromo-17-acetylestradiol is 470.00922 g/mol.
Where can I buy 2,4-Dibromo-17-acetylestradiol?
You can request a quote for 2,4-Dibromo-17-acetylestradiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dibromo-17-acetylestradiol?
Yes, CoreyChem provides custom synthesis services for 2,4-Dibromo-17-acetylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.