Pregna-1,4,16-triene-3,20-dione
TL;DR: Pregna-1,4,16-triene-3,20-dione (CAS 75863-26-2) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Pregna-1,4,16-triene-3,20-dione, 17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 4.4196 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 679.95514 |
Chemical Identifiers
| CAS Number | 75863-26-2 |
|---|---|
| SMILES | CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C |
Product Overview
Pregna-1,4,16-triene-3,20-dione (CAS 75863-26-2), with molecular formula C21H26O2 and molecular weight 310.19 g/mol. IUPAC: 17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregna-1,4,16-triene-3,20-dione
Property Insights of Pregna-1,4,16-triene-3,20-dione
The XLogP value of 4.4196 indicates that Pregna-1,4,16-triene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Pregna-1,4,16-triene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregna-1,4,16-triene-3,20-dione has 0 hydrogen bond donor(s) and 2 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 Pregna-1,4,16-triene-3,20-dione?
The CAS number of Pregna-1,4,16-triene-3,20-dione is 75863-26-2.
What is the molecular formula of Pregna-1,4,16-triene-3,20-dione?
The molecular formula of Pregna-1,4,16-triene-3,20-dione is C21H26O2.
What is the molecular weight of Pregna-1,4,16-triene-3,20-dione?
The molecular weight of Pregna-1,4,16-triene-3,20-dione is 310.19 g/mol.
Where can I buy Pregna-1,4,16-triene-3,20-dione?
You can request a quote for Pregna-1,4,16-triene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-1,4,16-triene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4,16-triene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.