6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
TL;DR: 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione (CAS 16355-29-6) is a chemical compound with molecular formula C21H28O6 and molecular weight 376.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: 6-Hydroxyprednisolone, 6,11,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, (1R,3aS,3bS,9aR,9bS,11aS)-1,5,10-trihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one, (8S,9S,10R,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H28O6 |
|---|---|
| Molecular Weight | 376.19 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.1886 |
| Heavy Atoms | 27 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 16355-29-6 |
|---|---|
| SMILES | C[C@]12CC([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CC(C4=CC(=O)C=C[C@]34C)O)O |
| InChIKey | LJGWPGVRXUUNAG-CNQQCLOFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione (CAS 16355-29-6), with molecular formula C21H28O6 and molecular weight 376.19 g/mol. IUPAC: (8S,9S,10R,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
Property Insights of 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione has 4 hydrogen bond donor(s) and 6 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 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione?
The CAS number of 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione is 16355-29-6.
What is the molecular formula of 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione?
The molecular formula of 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione is C21H28O6.
What is the molecular weight of 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione?
The molecular weight of 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione is 376.19 g/mol.
Where can I buy 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione?
You can request a quote for 6,11,17,21-Tetrahydroxypregna-1,4-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 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,11,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.