CAS RN: 24868-20-0
Dantrolene sodium
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg / 500mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS24868-20-0
- Purity/Analytical Methods: >99.0%
24868-20-0 / sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Basic Information
CAS
24868-20-0
Multi CAS
No
Molecular Formula
C14H9N4NaO5
Molecular Weight
336.230000
Exact Mass
336.047064
SMILES
C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]
InChI
InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;
InChIKey
KSRLIXGNPXAZHD-HAZZGOGXSA-M
Physical Properties
Melting Point
534 to 536 °F (NTP, 1992)
Physical Description
Crystals (in aqueous DMF). (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
77.93
TPSA
124.37
LogP / Solubility
WLOGP
-1.61
MLOGP
-1.4
XLogP3
-1.61
Consensus LogP
-1.54
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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