CAS RN: 76902-32-4
N-Ethyltoluenesulfonamide (o- and p- mixture)
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.20250314 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTE0187
- Purity/Analytical Methods: >98.0%(N)
76902-32-4 / 2-ethyl-6-methylbenzenesulfonamide
Basic Information
CAS
76902-32-4
Multi CAS
Yes
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
InChI
InChI=1S/C9H13NO2S/c1-3-8-6-4-5-7(2)9(8)13(10,11)12/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChIKey
OAIHSIWIAKVSCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.93
TPSA
60.16
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.6
Consensus LogP
1.29
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.08
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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