21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one
TL;DR: 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one (CAS 15548-30-8) is a chemical compound with molecular formula C25H36O5 and molecular weight 416.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]-2-oxoethyl] acetate
Also Known As: 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one, [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]-2-oxoethyl] acetate, 2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]-2-oxoethyl acetate
| Molecular Formula | C25H36O5 |
|---|---|
| Molecular Weight | 416.26 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.2563 |
| Heavy Atoms | 30 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 15548-30-8 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC5(C4)OCCO5)C)C |
| InChIKey | JEPJOTLSPRNHQM-OCCJOITDSA-N |
Product Overview
21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one (CAS 15548-30-8), with molecular formula C25H36O5 and molecular weight 416.26 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one
Property Insights of 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one
The XLogP value of 4.2 indicates that 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one. Following Lipinski's Rule of Five, 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one has 0 hydrogen bond donor(s) and 5 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 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one?
The CAS number of 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one is 15548-30-8.
What is the molecular formula of 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one?
The molecular formula of 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one is C25H36O5.
What is the molecular weight of 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one?
The molecular weight of 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one is 416.26 g/mol.
Where can I buy 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one?
You can request a quote for 21-acetoxy-3,3-ethanediyldioxy-pregn-5-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 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 21-acetoxy-3,3-ethanediyldioxy-pregn-5-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.