17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate
TL;DR: 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate (CAS 6291-97-0) is a chemical compound with molecular formula C39H62O6 and molecular weight 626.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
Also Known As: 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate, [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate, Pregn-4-ene-3,11,20-trione,17-hydroxy-21-[(1-oxooctadecyl)oxy]- (9CI)
| Molecular Formula | C39H62O6 |
|---|---|
| Molecular Weight | 626.45 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 626.45465 |
| Heavy Atoms | 45 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 6291-97-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| InChIKey | DDFCVGDXLBXEIQ-CGIWSNMHSA-N |
Product Overview
17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate (CAS 6291-97-0), with molecular formula C39H62O6 and molecular weight 626.45 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate.
Chemical Property Profile of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate
Property Insights of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate
The XLogP value of 10.5 indicates that 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate. Following Lipinski's Rule of Five, 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate?
The CAS number of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate is 6291-97-0.
What is the molecular formula of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate?
The molecular formula of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate is C39H62O6.
What is the molecular weight of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate?
The molecular weight of 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate is 626.45 g/mol.
Where can I buy 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate?
You can request a quote for 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.