16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one
TL;DR: 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one (CAS 1097-50-3) 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-[(1R,2S,6S,7S,10S,11S,14S,16S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl]ethanone
Also Known As: 16,17-Ehpo, 3-hydroxy-16,17-epoxypregnan-20-one, 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one, 5-pregnene-3beta-ol-16,17-epoxi-20-one, 3beta-Hydroxy-5alpha-16,17-epoxypregnan-20-one
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 3.7 |
| 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 | 1097-50-3 |
|---|---|
| SMILES | CC(=O)[C@]12C(O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C |
| InChIKey | MSGQPOBWYUXEOQ-HUTPOGKCSA-N |
Product Overview
16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one (CAS 1097-50-3), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: 1-[(1R,2S,6S,7S,10S,11S,14S,16S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl]ethanone.
Chemical Property Profile of 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one
Property Insights of 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one
The XLogP value of 3.7 indicates that 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-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, 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-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 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one?
The CAS number of 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one is 1097-50-3.
What is the molecular formula of 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one?
The molecular formula of 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one is C21H32O3.
What is the molecular weight of 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one?
The molecular weight of 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one is 332.24 g/mol.
Where can I buy 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one?
You can request a quote for 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 16alpha,17-Epoxy-3beta-hydroxy-5alpha-pregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.