CAS RN: 63547-13-7
Adrafinil
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250831 | 1ml | In stock | Inquiry |
- Product code: ICTA3194
- Purity/Analytical Methods: >98.0%(N)
63547-13-7 / 2-benzhydrylsulfinyl-N-hydroxyacetamide
Basic Information
CAS
63547-13-7
Multi CAS
Yes
Molecular Formula
C15H15NO3S
Molecular Weight
289.400000
Exact Mass
289.077265
InChI
InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)
InChIKey
CGNMLOKEMNBUAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.67
TPSA
66.4
LogP / Solubility
WLOGP
2.03
MLOGP
1.8
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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