Dantrolene, sodium salt hemi 7-hydrate
TL;DR: Dantrolene, sodium salt hemi 7-hydrate (CAS 24868-20-0) is a chemical compound with molecular formula C28H32N8Na2O17 and molecular weight 798.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;bis(3-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate);heptahydrate
Also Known As: Dantamacrin, Dantrium, DANTROLENE SODIUM, Dantrolene Sodium Hydrate, Dantrolene (sodium hemiheptahydrate)
| Molecular Formula | C28H32N8Na2O17 |
|---|---|
| Molecular Weight | 798.17 g/mol |
| LogP | -8.9987 |
| Topological Polar Surface Area | 261.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 6 |
| Exact Mass | 798.1681 |
| Heavy Atoms | 55 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 24868-20-0 |
|---|---|
| SMILES | C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+] |
| InChIKey | LTWQNYPDAUSXBC-UHFFFAOYSA-L |
Product Overview
Dantrolene, sodium salt hemi 7-hydrate (CAS 24868-20-0), with molecular formula C28H32N8Na2O17 and molecular weight 798.17 g/mol. IUPAC: disodium;bis(3-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate);heptahydrate.
Chemical Property Profile of Dantrolene, sodium salt hemi 7-hydrate
Property Insights of Dantrolene, sodium salt hemi 7-hydrate
The XLogP value of -8.9987 indicates that Dantrolene, sodium salt hemi 7-hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 261.0 Ų indicates high polarity, suggesting Dantrolene, sodium salt hemi 7-hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dantrolene, sodium salt hemi 7-hydrate has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dantrolene, sodium salt hemi 7-hydrate?
The CAS number of Dantrolene, sodium salt hemi 7-hydrate is 24868-20-0.
What is the molecular formula of Dantrolene, sodium salt hemi 7-hydrate?
The molecular formula of Dantrolene, sodium salt hemi 7-hydrate is C28H32N8Na2O17.
What is the molecular weight of Dantrolene, sodium salt hemi 7-hydrate?
The molecular weight of Dantrolene, sodium salt hemi 7-hydrate is 798.17 g/mol.
Where can I buy Dantrolene, sodium salt hemi 7-hydrate?
You can request a quote for Dantrolene, sodium salt hemi 7-hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dantrolene, sodium salt hemi 7-hydrate?
Yes, KEHONG BIO provides custom synthesis services for Dantrolene, sodium salt hemi 7-hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.