17,21-Dihydroxypregna-4,6-diene-3,20-dione
TL;DR: 17,21-Dihydroxypregna-4,6-diene-3,20-dione (CAS 90410-27-8) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 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-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 6-Dehydro-11-deoxy Cortisol, 17,21-dihydroxypregna-4,6-diene-3,20-dione, Methylprednisolone Impurity 98, (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one, Pregna-4,6-diene-3,20-dione,17,21-dihydroxy- (7CI,9CI)
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 90410-27-8 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C |
| InChIKey | ZOAWGBBOUUOQBP-OBQKJFGGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17,21-Dihydroxypregna-4,6-diene-3,20-dione (CAS 90410-27-8), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17,21-Dihydroxypregna-4,6-diene-3,20-dione
Property Insights of 17,21-Dihydroxypregna-4,6-diene-3,20-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17,21-Dihydroxypregna-4,6-diene-3,20-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17,21-Dihydroxypregna-4,6-diene-3,20-dione. Following Lipinski's Rule of Five, 17,21-Dihydroxypregna-4,6-diene-3,20-dione has 2 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 17,21-Dihydroxypregna-4,6-diene-3,20-dione?
The CAS number of 17,21-Dihydroxypregna-4,6-diene-3,20-dione is 90410-27-8.
What is the molecular formula of 17,21-Dihydroxypregna-4,6-diene-3,20-dione?
The molecular formula of 17,21-Dihydroxypregna-4,6-diene-3,20-dione is C21H28O4.
What is the molecular weight of 17,21-Dihydroxypregna-4,6-diene-3,20-dione?
The molecular weight of 17,21-Dihydroxypregna-4,6-diene-3,20-dione is 344.20 g/mol.
Where can I buy 17,21-Dihydroxypregna-4,6-diene-3,20-dione?
You can request a quote for 17,21-Dihydroxypregna-4,6-diene-3,20-dione 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-4,6-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17,21-Dihydroxypregna-4,6-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.