21-Hydroxy-5beta-pregnane-3,11,20-trione
TL;DR: 21-Hydroxy-5beta-pregnane-3,11,20-trione (CAS 10425-48-6) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: 21-Hydroxy-5beta-pregnane-3,11,20-trione, 5beta-Pregnan-21-ol-3,11,20-trione, 21-Hydroxy-5b-pregnane-3,11,20-trione, 5?-Pregnan-21-ol-3,11,20-trione, 21-hydroxy-5
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 10425-48-6 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C |
| InChIKey | ZDUVZJUTJOBJHS-XYEQKYNMSA-N |
Product Overview
21-Hydroxy-5beta-pregnane-3,11,20-trione (CAS 10425-48-6), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: (5R,8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 21-Hydroxy-5beta-pregnane-3,11,20-trione
Property Insights of 21-Hydroxy-5beta-pregnane-3,11,20-trione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-Hydroxy-5beta-pregnane-3,11,20-trione. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Hydroxy-5beta-pregnane-3,11,20-trione. Following Lipinski's Rule of Five, 21-Hydroxy-5beta-pregnane-3,11,20-trione has 1 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 21-Hydroxy-5beta-pregnane-3,11,20-trione?
The CAS number of 21-Hydroxy-5beta-pregnane-3,11,20-trione is 10425-48-6.
What is the molecular formula of 21-Hydroxy-5beta-pregnane-3,11,20-trione?
The molecular formula of 21-Hydroxy-5beta-pregnane-3,11,20-trione is C21H30O4.
What is the molecular weight of 21-Hydroxy-5beta-pregnane-3,11,20-trione?
The molecular weight of 21-Hydroxy-5beta-pregnane-3,11,20-trione is 346.21 g/mol.
Where can I buy 21-Hydroxy-5beta-pregnane-3,11,20-trione?
You can request a quote for 21-Hydroxy-5beta-pregnane-3,11,20-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Hydroxy-5beta-pregnane-3,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for 21-Hydroxy-5beta-pregnane-3,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.