CAS RN: 133146-85-7
BUTANAMIDE, N-METHOXY-N-METHYL-3-OXO-
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.20260215 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS133146-85-7
- Purity/Analytical Methods: >99.0%
133146-85-7 / N-methoxy-N-methyl-3-oxobutanamide
Basic Information
CAS
133146-85-7
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
CC(=O)CC(=O)N(C)OC
InChI
InChI=1S/C6H11NO3/c1-5(8)4-6(9)7(2)10-3/h4H2,1-3H3
InChIKey
OVFDNPKHPHAHIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
35.08
TPSA
46.61
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.02
XLogP3
-0.4
Consensus LogP
-0.14
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.62
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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