6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate
TL;DR: 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate (CAS 23641-05-6) is a chemical compound with molecular formula C25H30F2O7 and molecular weight 480.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(17-acetyloxy-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: 6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate, [2-(17-acetyloxy-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
| Molecular Formula | C25H30F2O7 |
|---|---|
| Molecular Weight | 480.20 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.19595 |
| Heavy Atoms | 34 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 23641-05-6 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)OC(=O)C |
| InChIKey | RWKMFNKALGKSFN-UHFFFAOYSA-N |
Product Overview
6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate (CAS 23641-05-6), with molecular formula C25H30F2O7 and molecular weight 480.20 g/mol. IUPAC: [2-(17-acetyloxy-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate
Property Insights of 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate. Following Lipinski's Rule of Five, 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate has 1 hydrogen bond donor(s) and 9 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 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate?
The CAS number of 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate is 23641-05-6.
What is the molecular formula of 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate?
The molecular formula of 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate is C25H30F2O7.
What is the molecular weight of 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate?
The molecular weight of 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate is 480.20 g/mol.
Where can I buy 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate?
You can request a quote for 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 6,9-Difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.