CAS RN: 5339-67-3
N-ETHYLBENZSULFAMIDE
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.20251224 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS5339-67-3
- Purity/Analytical Methods: >99.0%
5339-67-3 / N-ethylbenzenesulfonamide
Basic Information
CAS
5339-67-3
Multi CAS
Yes
Molecular Formula
C8H11NO2S
Molecular Weight
185.250000
Exact Mass
185.051050
InChI
InChI=1S/C8H11NO2S/c1-2-9-12(10,11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey
WNSXUAGCWVZDQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.3
TPSA
46.17
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
1.3
Consensus LogP
1.05
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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