5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one
TL;DR: 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one (CAS 6585-70-2) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.23514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1S,2R,5S,7S,9R,11S,12S,15S,16S)-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]ethanone
Also Known As: Pregnenolone 5,6beta-epoxide, 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one, 3-Hydroxy-5,6-epoxypregnan-20-one, 3beta-Hydroxy-5beta,6beta-5,6-epoxypregnan-20-one, 5,6beta-Epoxy-3beta-hydroxy-5beta-pregnan-20-one
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.23514 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.23514 Da |
| Heavy Atoms | 24 |
| Complexity | 588.0 |
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)C |
| InChIKey | QLULPRPVLIPVFS-HUPPADNKSA-N |
Chemical Property Profile of 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one
Property Insights of 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one
The XLogP value of 3.5 indicates that 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one has 1 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 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one?
The CAS number of 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one is 6585-70-2.
What is the molecular formula of 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one?
The molecular formula of 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one is C21H32O3.
What is the molecular weight of 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one?
The molecular weight of 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one is 332.23514 g/mol.
Where can I buy 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one?
You can request a quote for 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one?
Yes, CoreyChem provides custom synthesis services for 5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.