14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol
TL;DR: 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol (CAS 104849-39-0) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4bS,7S,8aS)-7-[(1R)-1-hydroxyprop-2-ynyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
Also Known As: 14,15-Setyd, 14,15-Setyo, 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol, 5-(3,5-dimethylphenyl)pyridine-3-carboxylic acid, (4bS,7S,8aS)-7-[(1R)-1-hydroxyprop-2-ynyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H22O2 |
| Molecular Weight | 270.162 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.162 Da |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
| SMILES | C[C@@]1(CC[C@H]2[C@H](C1)CCC3=C2C=CC(=C3)O)[C@H](C#C)O |
| InChIKey | PGUHDYUGHBUNJJ-MGHWNKPDSA-N |
Chemical Property Profile of 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol
Property Insights of 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol
The XLogP value of 3.6 indicates that 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol has 2 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 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol?
The CAS number of 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol is 104849-39-0.
What is the molecular formula of 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol?
The molecular formula of 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol is C18H22O2.
What is the molecular weight of 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol?
The molecular weight of 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol is 270.162 g/mol.
Where can I buy 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol?
You can request a quote for 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol?
Yes, CoreyChem provides custom synthesis services for 14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.