二氟泼尼酯
TL;DR: 二氟泼尼酯 (CAS 23674-86-4) is a chemical compound with molecular formula C27H34F2O7 and molecular weight 508.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氟泼尼酯
[17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
Also Known As: difluprednate, Difluprednatum, BGJ398, 6I+/-,9I+/--Difluoroprednisolone 21-acetate 17-butyrate, 6ALPHA,9ALPHA-DIFLUOROPREDNISOLONE 21-ACETATE 17-BUTYRATE
| Molecular Formula | C27H34F2O7 |
|---|---|
| Molecular Weight | 508.23 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.22726 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 23674-86-4 |
|---|---|
| SMILES | CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C |
| InChIKey | WYQPLTPSGFELIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氟泼尼酯 (CAS 23674-86-4), with molecular formula C27H34F2O7 and molecular weight 508.23 g/mol. IUPAC: [17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate.
Chemical Property Profile of 二氟泼尼酯
Property Insights of 二氟泼尼酯
The XLogP value of 3.4 indicates that 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氟泼尼酯. Following Lipinski's Rule of Five, 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate 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 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate?
The CAS number of 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate is 23674-86-4.
What is the molecular formula of 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate?
The molecular formula of 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate is C27H34F2O7.
What is the molecular weight of 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate?
The molecular weight of 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate is 508.23 g/mol.
Where can I buy 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate?
You can request a quote for 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate?
Yes, KEHONG BIO provides custom synthesis services for 6alpha,9alpha-Difluoroprednisolone 21-acetate 17-butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.