5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one
TL;DR: 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one (CAS 2193-00-2) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2R,5S,7R,9S,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, 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one, A-pregnan-20-one, 5,6, A-epoxy-3, A-hydroxy-
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 2193-00-2 |
|---|---|
| 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-WVFTZONGSA-N |
Product Overview
5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one (CAS 2193-00-2), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: 1-[(1S,2R,5S,7R,9S,11S,12S,15S,16S)-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]ethanone.
Chemical Property Profile of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one
Property Insights of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one
The XLogP value of 3.5 indicates that 5alpha,6alpha-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, 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5alpha,6alpha-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
Frequently Asked Questions
What is the CAS number of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one?
The CAS number of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one is 2193-00-2.
What is the molecular formula of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one?
The molecular formula of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one is C21H32O3.
What is the molecular weight of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one?
The molecular weight of 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one is 332.24 g/mol.
Where can I buy 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one?
You can request a quote for 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.