9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate
TL;DR: 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate (CAS 5534-12-3) is a chemical compound with molecular formula C24H31FO6 and molecular weight 434.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Decadronal, KST-1A0183, (9xi,11, A,16, A)-9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate
| Molecular Formula | C24H31FO6 |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.21048 |
| Heavy Atoms | 31 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 5534-12-3 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)OC(=O)C)C)O)F)C |
| InChIKey | FPVRUILUEYSIMD-LOXMODMJSA-N |
Product Overview
9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate (CAS 5534-12-3), with molecular formula C24H31FO6 and molecular weight 434.21 g/mol. IUPAC: [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate
Property Insights of 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate. Following Lipinski's Rule of Five, 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate has 2 hydrogen bond donor(s) and 7 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 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate?
The CAS number of 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate is 5534-12-3.
What is the molecular formula of 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate?
The molecular formula of 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate is C24H31FO6.
What is the molecular weight of 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate?
The molecular weight of 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate is 434.21 g/mol.
Where can I buy 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate?
You can request a quote for 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.