Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-
TL;DR: Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- (CAS 49751-53-3) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 17-Aco-21-OHPDD, Prednisolone Impurity 19, 11beta-Deoxyprednisolone 17-acetate, 17-Acetyloxy-21-hydroxypregna-1,4-diene-3,20-dione, 17,21-Dihydroxypregna-1,4-diene-3,20-dione 17-acetate
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 3.1576 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 794.8144 |
Chemical Identifiers
| CAS Number | 49751-53-3 |
|---|---|
| SMILES | CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C(=O)CO |
Product Overview
Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- (CAS 49751-53-3), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-
Property Insights of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-
The XLogP value of 3.1576 indicates that Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-. Following Lipinski's Rule of Five, Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- has 1 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 Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-?
The CAS number of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- is 49751-53-3.
What is the molecular formula of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-?
The molecular formula of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- is C23H30O5.
What is the molecular weight of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-?
The molecular weight of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- is 386.21 g/mol.
Where can I buy Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-?
You can request a quote for Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- 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-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.