Dantrolene Sodium
TL;DR: Dantrolene Sodium (CAS 85008-71-5) is a chemical compound with molecular formula C14H9N4NaO5 and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Also Known As: DANTROLENE SODIUM, Dantrolene sodium salt, Dantrium, Dantamacrin, Ryanodex
| Molecular Formula | C14H9N4NaO5 |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | -1.6129 |
| Topological Polar Surface Area | 124.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.04706 |
| Heavy Atoms | 24 |
| Complexity | 827.94525 |
Chemical Identifiers
| CAS Number | 85008-71-5 |
|---|---|
| SMILES | C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+] |
Product Overview
Dantrolene Sodium (CAS 85008-71-5), with molecular formula C14H9N4NaO5 and molecular weight 336.05 g/mol. IUPAC: sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate.
Chemical Property Profile of Dantrolene Sodium
Property Insights of Dantrolene Sodium
The XLogP value of -1.6129 indicates that Dantrolene Sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Dantrolene Sodium. Following Lipinski's Rule of Five, Dantrolene Sodium has 0 hydrogen bond donor(s) and 6 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 Dantrolene Sodium?
The CAS number of Dantrolene Sodium is 85008-71-5.
What is the molecular formula of Dantrolene Sodium?
The molecular formula of Dantrolene Sodium is C14H9N4NaO5.
What is the molecular weight of Dantrolene Sodium?
The molecular weight of Dantrolene Sodium is 336.05 g/mol.
Where can I buy Dantrolene Sodium?
You can request a quote for Dantrolene Sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dantrolene Sodium?
Yes, KEHONG BIO provides custom synthesis services for Dantrolene Sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.