CAS RN: 5317-94-2
N-(4-ACETYL-PHENYL)-4-METHYL-BENZENESULFONAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5317-94-2
- Purity/Analytical Methods: >99.0%
5317-94-2 / N-(4-acetylphenyl)-4-methylbenzenesulfonamide
Basic Information
CAS
5317-94-2
Multi CAS
Yes
Molecular Formula
C15H15NO3S
Molecular Weight
289.400000
Exact Mass
289.077265
InChI
InChI=1S/C15H15NO3S/c1-11-3-9-15(10-4-11)20(18,19)16-14-7-5-13(6-8-14)12(2)17/h3-10,16H,1-2H3
InChIKey
FPXRFFCKWPPNEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.43
TPSA
63.24
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
2.5
Consensus LogP
2.72
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
