1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione
TL;DR: 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione (CAS 2899-94-7) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(1,2-dihydroxyethyl)-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: 20-Dihydroprednisone, 20b-Hydroxy Prednisone, 20beta-Dihydroprednisone, 20alpha-Dihydroprednisone, 1,4-PREGNADIEN-17,20-BETA, 21-TRIOL-3,11-DIONE
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 1.5576 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 723.9131 |
Chemical Identifiers
| CAS Number | 2899-94-7 |
|---|---|
| SMILES | CC12CC(=O)C3C(C1CCC2(C(CO)O)O)CCC4=CC(=O)C=CC34C |
Product Overview
1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione (CAS 2899-94-7), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: 17-(1,2-dihydroxyethyl)-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione
Property Insights of 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione
The XLogP value of 1.5576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione. Following Lipinski's Rule of Five, 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione has 3 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 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione?
The CAS number of 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione is 2899-94-7.
What is the molecular formula of 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione?
The molecular formula of 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione is C21H28O5.
What is the molecular weight of 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione?
The molecular weight of 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione is 360.19 g/mol.
Where can I buy 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione?
You can request a quote for 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Pregnadien-17,20-beta, 21-triol-3,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.