![CAS 957407-64-6 N-[2-(4-ISOBUTYL-PHENYL)-PROPIONYL]-METHANE SULFONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/957407-64-6.gif)
CAS RN: 957407-64-6
N-[2-(4-ISOBUTYL-PHENYL)-PROPIONYL]-METHANE SULFONAMIDE
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.20251223 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS957407-64-6
- Purity/Analytical Methods: >99.0%
957407-64-6 / 2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
Basic Information
CAS
957407-64-6
Multi CAS
No
Molecular Formula
C14H21NO3S
Molecular Weight
283.390000
Exact Mass
283.124215
InChI
InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKey
KQDRVXQXKZXMHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.39
TPSA
63.24
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
2.9
Consensus LogP
2.26
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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