CAS RN: 1020720-04-0
Zonisamide-d4
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1020720-04-0
- Purity/Analytical Methods: >99.0%
1020720-04-0 / (4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide
Zonisamide-d4 | (4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide | 1,2-Benzisoxazole-4,5,6,7-d4-3-methanesulfonamide
Basic Information
CAS
1020720-04-0
Multi CAS
Yes
Molecular Formula
C8H8N2O3S
Molecular Weight
216.250000
Exact Mass
216.050670
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=NO2)CS(=O)(=O)N)[2H])[2H]
InChI
InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)/i1D,2D,3D,4D
InChIKey
UBQNRHZMVUUOMG-RHQRLBAQSA-N
Synonyms
Zonisamide-d4
(4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide
1,2-Benzisoxazole-4,5,6,7-d4-3-methanesulfonamide
3-(Sulfamoylmethyl)-1,2-benzisoxazole-d4
1,2-(Benzisoxazole-d4)-3-methanesulfonamide
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.82
TPSA
86.19
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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