CAS RN: 63738-92-1
“α-acetophenonesulfonic acidsodiuM salt”
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250801 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS63738-92-1
- Purity/Analytical Methods: >99.0%
63738-92-1 / sodium 2-oxo-2-phenylethanesulfonate
Basic Information
CAS
63738-92-1
Multi CAS
Yes
Molecular Formula
C8H7NAO4S
Molecular Weight
222.200000
Exact Mass
221.996274
InChI
InChI=1S/C8H8O4S.Na/c9-8(6-13(10,11)12)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11,12);/q;+1/p-1
InChIKey
UEJVLNHEZSOOOG-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
45.34
TPSA
74.27
LogP / Solubility
WLOGP
-2.58
MLOGP
-2.27
XLogP3
-2.58
Consensus LogP
-2.48
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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