卤泼尼酮醋酸酯
TL;DR: 卤泼尼酮醋酸酯 (CAS 57781-14-3) is a chemical compound with molecular formula C25H29BrF2O7 and molecular weight 558.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卤泼尼酮醋酸酯
[2-(17-acetyloxy-2-bromo-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: halopredone acetate, 2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate), [2-(17-acetyloxy-2-bromo-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 | C25H29BrF2O7 |
|---|---|
| Molecular Weight | 558.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.10645 |
| Heavy Atoms | 35 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 57781-14-3 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C(=CC43C)Br)F)F)O)C)OC(=O)C |
| InChIKey | YCISZOVUHXIOFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卤泼尼酮醋酸酯 (CAS 57781-14-3), with molecular formula C25H29BrF2O7 and molecular weight 558.11 g/mol. IUPAC: [2-(17-acetyloxy-2-bromo-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 卤泼尼酮醋酸酯
Property Insights of 卤泼尼酮醋酸酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 卤泼尼酮醋酸酯. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 卤泼尼酮醋酸酯. Following Lipinski's Rule of Five, halopredone acetate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of halopredone acetate?
The CAS number of halopredone acetate is 57781-14-3.
What is the molecular formula of halopredone acetate?
The molecular formula of halopredone acetate is C25H29BrF2O7.
What is the molecular weight of halopredone acetate?
The molecular weight of halopredone acetate is 558.11 g/mol.
Where can I buy halopredone acetate?
You can request a quote for halopredone acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for halopredone acetate?
Yes, KEHONG BIO provides custom synthesis services for halopredone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.