CAS RN: 56445-08-0
3-AMINO-N-ETHYLBENZENESULFONAMIDE
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.20260320 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS56445-08-0
- Purity/Analytical Methods: >99.0%
56445-08-0 / 3-amino-N-ethylbenzenesulfonamide
Basic Information
CAS
56445-08-0
Multi CAS
No
Molecular Formula
C8H12N2O2S
Molecular Weight
200.260000
Exact Mass
200.061949
InChI
InChI=1S/C8H12N2O2S/c1-2-10-13(11,12)8-5-3-4-7(9)6-8/h3-6,10H,2,9H2,1H3
InChIKey
PGCYKJPSIKCLNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.72
TPSA
72.19
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
0.4
Consensus LogP
0.49
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
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
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