Fluocinonide Impurity 3
TL;DR: Fluocinonide Impurity 3 (CAS 6598-95-4) is a chemical compound with molecular formula C26H31FO7 and molecular weight 474.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1S,3S,5S,6S,10R,12S,13S,15S,21S)-15-fluoro-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-6-yl]-2-oxoethyl] acetate
Also Known As: Fluocinonide Impurity 3, 9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate, (6alpha,9beta,11beta,16alpha)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, [2-[(1S,3S,5S,6S,10R,12S,13S,15S,21S)-15-Fluoro-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-6-yl]-2-oxoethyl] acetate, "(6alpha,9beta,11beta,16alpha)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione"
| Molecular Formula | C26H31FO7 |
|---|---|
| Molecular Weight | 474.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.20538 |
| Heavy Atoms | 34 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 6598-95-4 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@H]4[C@@]5([C@H]3C[C@@H](C6=CC(=O)C=C[C@@]65C)F)O4)C)OC(O2)(C)C |
| InChIKey | MQQZOQZVFKAHJB-ANHKYHMRSA-N |
Product Overview
Fluocinonide Impurity 3 (CAS 6598-95-4), with molecular formula C26H31FO7 and molecular weight 474.21 g/mol. IUPAC: [2-[(1S,3S,5S,6S,10R,12S,13S,15S,21S)-15-fluoro-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-6-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Fluocinonide Impurity 3
Property Insights of Fluocinonide Impurity 3
The XLogP value of 3.2 indicates that Fluocinonide Impurity 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Fluocinonide Impurity 3. Following Lipinski's Rule of Five, Fluocinonide Impurity 3 has 0 hydrogen bond donor(s) and 8 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 Fluocinonide Impurity 3?
The CAS number of Fluocinonide Impurity 3 is 6598-95-4.
What is the molecular formula of Fluocinonide Impurity 3?
The molecular formula of Fluocinonide Impurity 3 is C26H31FO7.
What is the molecular weight of Fluocinonide Impurity 3?
The molecular weight of Fluocinonide Impurity 3 is 474.21 g/mol.
Where can I buy Fluocinonide Impurity 3?
You can request a quote for Fluocinonide Impurity 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluocinonide Impurity 3?
Yes, KEHONG BIO provides custom synthesis services for Fluocinonide Impurity 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.