14,17,21-Trihydroxypregna-1,4-diene-3,20-dione
TL;DR: 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione (CAS 6626-57-9) 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.
(8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Cyclopentandecaol, 14,17,21-trihydroxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione,14,17,21-trihydroxy- (9CI), (8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 6626-57-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@]1(CC[C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C |
| InChIKey | FLRMVTVWFWWFTQ-FHBGEGHHSA-N |
Product Overview
14,17,21-Trihydroxypregna-1,4-diene-3,20-dione (CAS 6626-57-9), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Property Insights of 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 14,17,21-Trihydroxypregna-1,4-diene-3,20-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 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione?
The CAS number of 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione is 6626-57-9.
What is the molecular formula of 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione?
The molecular formula of 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione is C21H28O5.
What is the molecular weight of 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione?
The molecular weight of 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione is 360.19 g/mol.
Where can I buy 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione?
You can request a quote for 14,17,21-Trihydroxypregna-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 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 14,17,21-Trihydroxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.