Dexamethasone acefurate
TL;DR: Dexamethasone acefurate (CAS 83880-70-0) is a chemical compound with molecular formula C29H33FO8 and molecular weight 528.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Also Known As: Dexamethasone acefurate, Dexamethasone cipecilate, Betamethasone Impurity 54, Sch 31353, Acefurato de dexametasona
| Molecular Formula | C29H33FO8 |
|---|---|
| Molecular Weight | 528.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.21594 |
| Heavy Atoms | 38 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 83880-70-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C |
| InChIKey | DDIWRLSEGOVQQD-BJRLRHTOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dexamethasone acefurate (CAS 83880-70-0), with molecular formula C29H33FO8 and molecular weight 528.22 g/mol. IUPAC: [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate.
Chemical Property Profile of Dexamethasone acefurate
Property Insights of Dexamethasone acefurate
The XLogP value of 3.7 indicates that Dexamethasone acefurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dexamethasone acefurate. Following Lipinski's Rule of Five, Dexamethasone acefurate 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 Dexamethasone acefurate?
The CAS number of Dexamethasone acefurate is 83880-70-0.
What is the molecular formula of Dexamethasone acefurate?
The molecular formula of Dexamethasone acefurate is C29H33FO8.
What is the molecular weight of Dexamethasone acefurate?
The molecular weight of Dexamethasone acefurate is 528.22 g/mol.
Where can I buy Dexamethasone acefurate?
You can request a quote for Dexamethasone acefurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dexamethasone acefurate?
Yes, KEHONG BIO provides custom synthesis services for Dexamethasone acefurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.