6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
TL;DR: 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate (CAS 2326-26-3) is a chemical compound with molecular formula C23H26F2O5 and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Difluprednate Impurity 16, 3-acetoxyoact-1-ene, Difluprednate Impurity 7, KST-1A3016, 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
| Molecular Formula | C23H26F2O5 |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.17484 |
| Heavy Atoms | 30 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 2326-26-3 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C |
| InChIKey | YXASFOVLXBFEEU-LKVAYOKUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate (CAS 2326-26-3), with molecular formula C23H26F2O5 and molecular weight 420.17 g/mol. IUPAC: [2-[(6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
Property Insights of 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate. Following Lipinski's Rule of Five, 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate has 1 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 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
The CAS number of 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is 2326-26-3.
What is the molecular formula of 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
The molecular formula of 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is C23H26F2O5.
What is the molecular weight of 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
The molecular weight of 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is 420.17 g/mol.
Where can I buy 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
You can request a quote for 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for 6alpha,9-Difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.