CAS RN: 122348-67-8
Butanamide, N-(1-methylethyl)-
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.20260119 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS122348-67-8
- Purity/Analytical Methods: >99.0%
122348-67-8 / N-propan-2-ylbutanamide
Basic Information
CAS
122348-67-8
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
CCCC(=O)NC(C)C
InChI
InChI=1S/C7H15NO/c1-4-5-7(9)8-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKey
KKWNADDVIBLENW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.19
TPSA
29.1
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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