3beta-Hydroxytibolone
TL;DR: 3beta-Hydroxytibolone (CAS 100239-78-9) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,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
Also Known As: 3beta-hydroxytibolone, 3-hydroxytibolone, 3betaOH Tibolone, A-Hydroxy Tibolone, Tibolone impurity 2
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.6744 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 585.1392 |
Chemical Identifiers
| CAS Number | 100239-78-9 |
|---|---|
| SMILES | C[C@@H]1CC2=C(CC[C@@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O |
Product Overview
3beta-Hydroxytibolone (CAS 100239-78-9), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: (3S,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.
Chemical Property Profile of 3beta-Hydroxytibolone
Property Insights of 3beta-Hydroxytibolone
The XLogP value of 3.6744 indicates that 3beta-Hydroxytibolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 3beta-Hydroxytibolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-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
Frequently Asked Questions
What is the CAS number of 3beta-Hydroxytibolone?
The CAS number of 3beta-Hydroxytibolone is 100239-78-9.
What is the molecular formula of 3beta-Hydroxytibolone?
The molecular formula of 3beta-Hydroxytibolone is C21H30O2.
What is the molecular weight of 3beta-Hydroxytibolone?
The molecular weight of 3beta-Hydroxytibolone is 314.22 g/mol.
Where can I buy 3beta-Hydroxytibolone?
You can request a quote for 3beta-Hydroxytibolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxytibolone?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxytibolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.