CAS RN: 147611-83-4
4-(N,N-Dimethylaminosulfonyl)-7-amino-2,1,3-benzoxadiazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTD3830
- Purity/Analytical Methods: >98.0%(HPLC)
147611-83-4 / 7-amino-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Basic Information
CAS
147611-83-4
Multi CAS
No
Molecular Formula
C8H10N4O3S
Molecular Weight
242.260000
Exact Mass
242.047361
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N
InChI
InChI=1S/C8H10N4O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,9H2,1-2H3
InChIKey
ZRHMJRAHRITJBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
57.09
TPSA
102.32
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
-0.4
Consensus LogP
-0.1
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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