Dexamethasone 21-bromoacetate
TL;DR: Dexamethasone 21-bromoacetate (CAS 1764-73-4) is a chemical compound with molecular formula C24H30BrFO6 and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate
Also Known As: Dexamethasone 21-bromoacetate, 9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate, [2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate, (9xi)-9-Fluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate
| Molecular Formula | C24H30BrFO6 |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.121 |
| Heavy Atoms | 32 |
| Complexity | 931.0 |
Chemical Identifiers
| CAS Number | 1764-73-4 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CBr)O)C)O)F)C |
| InChIKey | FXNNNORODUZNGH-OWWZPINESA-N |
Product Overview
Dexamethasone 21-bromoacetate (CAS 1764-73-4), with molecular formula C24H30BrFO6 and molecular weight 512.12 g/mol. IUPAC: [2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate.
Chemical Property Profile of Dexamethasone 21-bromoacetate
Property Insights of Dexamethasone 21-bromoacetate
The XLogP value of 3.4 indicates that Dexamethasone 21-bromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dexamethasone 21-bromoacetate. Following Lipinski's Rule of Five, Dexamethasone 21-bromoacetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dexamethasone 21-bromoacetate?
The CAS number of Dexamethasone 21-bromoacetate is 1764-73-4.
What is the molecular formula of Dexamethasone 21-bromoacetate?
The molecular formula of Dexamethasone 21-bromoacetate is C24H30BrFO6.
What is the molecular weight of Dexamethasone 21-bromoacetate?
The molecular weight of Dexamethasone 21-bromoacetate is 512.12 g/mol.
Where can I buy Dexamethasone 21-bromoacetate?
You can request a quote for Dexamethasone 21-bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dexamethasone 21-bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Dexamethasone 21-bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.