3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate
TL;DR: 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate (CAS 16319-93-0) is a chemical compound with molecular formula C25H36O4 and molecular weight 400.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Also Known As: 3-ethoxy-20-oxopregna-3,5-dien-17-yl acetate, (17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
| Molecular Formula | C25H36O4 |
|---|---|
| Molecular Weight | 400.26 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.26135 |
| Heavy Atoms | 29 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 16319-93-0 |
|---|---|
| SMILES | CCOC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C(=O)C)OC(=O)C)C |
| InChIKey | GLUPBNAYNWZRSJ-UHFFFAOYSA-N |
Product Overview
3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate (CAS 16319-93-0), with molecular formula C25H36O4 and molecular weight 400.26 g/mol. IUPAC: (17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate.
Chemical Property Profile of 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate
Property Insights of 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate
The XLogP value of 4.6 indicates that 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-20-oxopregna-3,5-dien-17-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 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate?
The CAS number of 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate is 16319-93-0.
What is the molecular formula of 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate?
The molecular formula of 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate is C25H36O4.
What is the molecular weight of 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate?
The molecular weight of 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate is 400.26 g/mol.
Where can I buy 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate?
You can request a quote for 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-20-oxopregna-3,5-dien-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.