2-Methoxy-17alpha-ethynylestradiol
TL;DR: 2-Methoxy-17alpha-ethynylestradiol (CAS 22415-44-7) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.1882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S,17R)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 2-Methoxyethinyl estradiol, 2-methoxyethinylestradiol, 2-Methoxy-Ethynyl Estradiol, 2-Methoxy-17a-ethynyl Estradiol, 2-Methoxy-17
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H26O3 |
| Molecular Weight | 326.1882 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1882 Da |
| Heavy Atoms | 24 |
| Complexity | 551.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=C(C=C34)OC)O |
| InChIKey | NRGDXTWZJCEVEB-PVHGPHFFSA-N |
Chemical Property Profile of 2-Methoxy-17alpha-ethynylestradiol
Property Insights of 2-Methoxy-17alpha-ethynylestradiol
The XLogP value of 3.6 indicates that 2-Methoxy-17alpha-ethynylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 2-Methoxy-17alpha-ethynylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-17alpha-ethynylestradiol 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-Methoxy-17alpha-ethynylestradiol?
The CAS number of 2-Methoxy-17alpha-ethynylestradiol is 22415-44-7.
What is the molecular formula of 2-Methoxy-17alpha-ethynylestradiol?
The molecular formula of 2-Methoxy-17alpha-ethynylestradiol is C21H26O3.
What is the molecular weight of 2-Methoxy-17alpha-ethynylestradiol?
The molecular weight of 2-Methoxy-17alpha-ethynylestradiol is 326.1882 g/mol.
Where can I buy 2-Methoxy-17alpha-ethynylestradiol?
You can request a quote for 2-Methoxy-17alpha-ethynylestradiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxy-17alpha-ethynylestradiol?
Yes, CoreyChem provides custom synthesis services for 2-Methoxy-17alpha-ethynylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.