CAS RN: 2584-48-7
N-methyl-3-oxo-N-phenylbutyramide
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.20250115 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2584-48-7
- Purity/Analytical Methods: >99.0%
2584-48-7 / N-methyl-3-oxo-N-phenylbutanamide
Basic Information
CAS
2584-48-7
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
CC(=O)CC(=O)N(C)C1=CC=CC=C1
InChI
InChI=1S/C11H13NO2/c1-9(13)8-11(14)12(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
IQYZGBSHBFRNED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
55.15
TPSA
37.38
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.1
Consensus LogP
1.39
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.73
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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