5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one
TL;DR: 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one (CAS 13485-13-7) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2R,5S,7R,11S,12S,16S)-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-15-yl]ethanone
Also Known As: KST-1A1194, 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one, 3-Hydroxy-5,6-epoxypregn-16-en-20-one, (3, A,5
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 13485-13-7 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)C |
| InChIKey | FJOFXGFQXDZWJF-DQVHTYIBSA-N |
Product Overview
5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one (CAS 13485-13-7), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: 1-[(1S,2R,5S,7R,11S,12S,16S)-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-15-yl]ethanone.
Chemical Property Profile of 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one
Property Insights of 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one
The XLogP value of 3.3 indicates that 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-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-hydroxypregn-16-en-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-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-hydroxypregn-16-en-20-one?
The CAS number of 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one is 13485-13-7.
What is the molecular formula of 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one?
The molecular formula of 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one is C21H30O3.
What is the molecular weight of 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one?
The molecular weight of 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one is 330.22 g/mol.
Where can I buy 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one?
You can request a quote for 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-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-hydroxypregn-16-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 5alpha,6alpha-Epoxy-3beta-hydroxypregn-16-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.