16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate
TL;DR: 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate (CAS 34209-81-9) is a chemical compound with molecular formula C23H32O4 and molecular weight 372.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6S,7S,10S,11R,14S)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
Also Known As: 16,17-Epoxypregnenolone Acetate, KST-1A4124, 16alpha,17alpha-Epoxypregnenolone acetate, (3, A)-20-oxo-16,17-epoxypregn-5-en-3-yl acetate
| Molecular Formula | C23H32O4 |
|---|---|
| Molecular Weight | 372.23 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.23007 |
| Heavy Atoms | 27 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 34209-81-9 |
|---|---|
| SMILES | CC(=O)[C@]12C(O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C |
| InChIKey | YRLVTBXOGJMZNC-YEBVRWJESA-N |
Product Overview
16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate (CAS 34209-81-9), with molecular formula C23H32O4 and molecular weight 372.23 g/mol. IUPAC: [(1R,2S,6S,7S,10S,11R,14S)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate.
Chemical Property Profile of 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate
Property Insights of 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate
The XLogP value of 3.5 indicates that 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate has 0 hydrogen bond donor(s) and 4 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 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate?
The CAS number of 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate is 34209-81-9.
What is the molecular formula of 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate?
The molecular formula of 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate is C23H32O4.
What is the molecular weight of 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate?
The molecular weight of 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate is 372.23 g/mol.
Where can I buy 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate?
You can request a quote for 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.