Dexamethasone 21-sulfate
TL;DR: Dexamethasone 21-sulfate (CAS 7793-27-3) is a chemical compound with molecular formula C22H29FO8S and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9R,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] hydrogen sulfate
Also Known As: Dexamethasone 21-sulfate, Dexamethasone sulfate ester, J2.159.472E, [2-[(8S,9R,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] hydrogen sulfate, [2-[(8S,9R,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]hydrogen sulfate
| Molecular Formula | C22H29FO8S |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.1567 |
| Heavy Atoms | 32 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 7793-27-3 |
|---|---|
| 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)COS(=O)(=O)O)O)C)O)F)C |
| InChIKey | URGVZGFGWFYRGP-CXSFZGCWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dexamethasone 21-sulfate (CAS 7793-27-3), with molecular formula C22H29FO8S and molecular weight 472.16 g/mol. IUPAC: [2-[(8S,9R,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] hydrogen sulfate.
Chemical Property Profile of Dexamethasone 21-sulfate
Property Insights of Dexamethasone 21-sulfate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dexamethasone 21-sulfate. The TPSA of 147.0 Ų indicates high polarity, suggesting Dexamethasone 21-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dexamethasone 21-sulfate has 3 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 Dexamethasone 21-sulfate?
The CAS number of Dexamethasone 21-sulfate is 7793-27-3.
What is the molecular formula of Dexamethasone 21-sulfate?
The molecular formula of Dexamethasone 21-sulfate is C22H29FO8S.
What is the molecular weight of Dexamethasone 21-sulfate?
The molecular weight of Dexamethasone 21-sulfate is 472.16 g/mol.
Where can I buy Dexamethasone 21-sulfate?
You can request a quote for Dexamethasone 21-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dexamethasone 21-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Dexamethasone 21-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.