17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate
TL;DR: 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate (CAS 39007-81-3) is a chemical compound with molecular formula C37H56O6 and molecular weight 596.41 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-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexadecanoate
Also Known As: 21-Hexadecanoylprednisone, EINECS 254-246-0, 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate, 17,21-dihydroxypregna-1,4-diene-3,11,20-trione21-hexadecanoate, 17-Hydroxy-21-(hexadecanoyloxy)pregna-1,4-diene-3,11,20-trione
| Molecular Formula | C37H56O6 |
|---|---|
| Molecular Weight | 596.41 g/mol |
| LogP | 7.798 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 596.4077 |
| Heavy Atoms | 43 |
| Complexity | 1088.6663 |
Chemical Identifiers
| CAS Number | 39007-81-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O |
Product Overview
17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate (CAS 39007-81-3), with molecular formula C37H56O6 and molecular weight 596.41 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexadecanoate.
Chemical Property Profile of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate
Property Insights of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate
The XLogP value of 7.798 indicates that 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate. Following Lipinski's Rule of Five, 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate 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 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate?
The CAS number of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate is 39007-81-3.
What is the molecular formula of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate?
The molecular formula of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate is C37H56O6.
What is the molecular weight of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate?
The molecular weight of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate is 596.41 g/mol.
Where can I buy 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate?
You can request a quote for 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.