Dexamethasone-21-sulfobenzoate
TL;DR: Dexamethasone-21-sulfobenzoate (CAS 16978-57-7) is a chemical compound with molecular formula C29H33FO9S and molecular weight 576.1829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[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-oxoethoxy]carbonylbenzenesulfonic acid
Also Known As: Dexamethasone-21-sulfobenzoate, dexamethasone metasulfobenzoate, Dexamethasone m-sulfobenzoate, 21-(3-Sulfobenzoyl)dexamethasone, Dexamethasone 21-(sodium 3-sulphobenzoate)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H33FO9S |
| Molecular Weight | 576.1829 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 576.1829 Da |
| Heavy Atoms | 40 |
| Complexity | 1290.0 |
| 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)C5=CC(=CC=C5)S(=O)(=O)O)O)C)O)F)C |
| InChIKey | TWQWRHIQRAZHPR-XNXCGYEVSA-N |
Chemical Property Profile of Dexamethasone-21-sulfobenzoate
Property Insights of Dexamethasone-21-sulfobenzoate
The XLogP value of 3.2 indicates that Dexamethasone-21-sulfobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting Dexamethasone-21-sulfobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dexamethasone-21-sulfobenzoate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dexamethasone-21-sulfobenzoate?
The CAS number of Dexamethasone-21-sulfobenzoate is 16978-57-7.
What is the molecular formula of Dexamethasone-21-sulfobenzoate?
The molecular formula of Dexamethasone-21-sulfobenzoate is C29H33FO9S.
What is the molecular weight of Dexamethasone-21-sulfobenzoate?
The molecular weight of Dexamethasone-21-sulfobenzoate is 576.1829 g/mol.
Where can I buy Dexamethasone-21-sulfobenzoate?
You can request a quote for Dexamethasone-21-sulfobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dexamethasone-21-sulfobenzoate?
Yes, CoreyChem provides custom synthesis services for Dexamethasone-21-sulfobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.