3alpha-hydroxytibolone
TL;DR: 3alpha-hydroxytibolone (CAS 100239-45-0) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 3alpha-hydroxytibolone, 3a-Hydroxy Tibolone, 3b-Hydroxy Tibolone, (3R,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol, 17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Technical Specifications
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.22458 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.22458 Da |
| Heavy Atoms | 23 |
| Complexity | 596.0 |
| SMILES | CC1CC2=C(CCC(C2)O)C3C1C4CCC(C4(CC3)C)(C#C)O |
| InChIKey | YLEUWNOTNJZCBN-UHFFFAOYSA-N |
Chemical Property Profile of 3alpha-hydroxytibolone
Property Insights of 3alpha-hydroxytibolone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3alpha-hydroxytibolone. With a topological polar surface area (TPSA) of 40.5 Ų, 3alpha-hydroxytibolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3alpha-hydroxytibolone 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 3alpha-hydroxytibolone?
The CAS number of 3alpha-hydroxytibolone is 100239-45-0.
What is the molecular formula of 3alpha-hydroxytibolone?
The molecular formula of 3alpha-hydroxytibolone is C21H30O2.
What is the molecular weight of 3alpha-hydroxytibolone?
The molecular weight of 3alpha-hydroxytibolone is 314.22458 g/mol.
Where can I buy 3alpha-hydroxytibolone?
You can request a quote for 3alpha-hydroxytibolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3alpha-hydroxytibolone?
Yes, CoreyChem provides custom synthesis services for 3alpha-hydroxytibolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.