dantrolene
TL;DR: dantrolene (CAS 14663-23-1) 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-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Also Known As: dantrolene, DANTROLENE SODIUM, Dantrolene Na, Dantrolene sodium salt, Dantrolene (sodium)
| Molecular Formula | C14H9N4NaO5 |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.04706 |
| Heavy Atoms | 24 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 14663-23-1 |
|---|---|
| SMILES | C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+] |
| InChIKey | KSRLIXGNPXAZHD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
dantrolene (CAS 14663-23-1), with molecular formula C14H9N4NaO5 and molecular weight 336.05 g/mol. IUPAC: sodium 3-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate.
Chemical Property Profile of dantrolene
Property Insights of dantrolene
The XLogP value of -1.61 indicates that dantrolene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dantrolene. Following Lipinski's Rule of Five, dantrolene 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?
The CAS number of dantrolene is 14663-23-1.
What is the molecular formula of dantrolene?
The molecular formula of dantrolene is C14H9N4NaO5.
What is the molecular weight of dantrolene?
The molecular weight of dantrolene is 336.05 g/mol.
Where can I buy dantrolene?
You can request a quote for dantrolene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dantrolene?
Yes, KEHONG BIO provides custom synthesis services for dantrolene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.