3-Methoxyestra-2,5(10)-dien-17beta-ol
TL;DR: 3-Methoxyestra-2,5(10)-dien-17beta-ol (CAS 1091-93-6) is a chemical compound with molecular formula C19H28O2 and molecular weight 288.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
Also Known As: 3-Methoxyestra-2,5(10)-dien-17beta-ol, 1,4-Dihydroestradiol 3-methyl ether, 3-Methoxyestra-2,5(10)-diene-17beta-ol, KST-1A0537, EC 214-130-2
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H28O2 |
| Molecular Weight | 288.20892 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.20892 Da |
| Heavy Atoms | 21 |
| Complexity | 504.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CC=C(C4)OC |
| InChIKey | XFFZLECPCHQJIR-GFEQUFNTSA-N |
Chemical Property Profile of 3-Methoxyestra-2,5(10)-dien-17beta-ol
Property Insights of 3-Methoxyestra-2,5(10)-dien-17beta-ol
The XLogP value of 3.3 indicates that 3-Methoxyestra-2,5(10)-dien-17beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Methoxyestra-2,5(10)-dien-17beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyestra-2,5(10)-dien-17beta-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methoxyestra-2,5(10)-dien-17beta-ol?
The CAS number of 3-Methoxyestra-2,5(10)-dien-17beta-ol is 1091-93-6.
What is the molecular formula of 3-Methoxyestra-2,5(10)-dien-17beta-ol?
The molecular formula of 3-Methoxyestra-2,5(10)-dien-17beta-ol is C19H28O2.
What is the molecular weight of 3-Methoxyestra-2,5(10)-dien-17beta-ol?
The molecular weight of 3-Methoxyestra-2,5(10)-dien-17beta-ol is 288.20892 g/mol.
Where can I buy 3-Methoxyestra-2,5(10)-dien-17beta-ol?
You can request a quote for 3-Methoxyestra-2,5(10)-dien-17beta-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxyestra-2,5(10)-dien-17beta-ol?
Yes, CoreyChem provides custom synthesis services for 3-Methoxyestra-2,5(10)-dien-17beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.