CAS RN: 60846-14-2
ethyl (2Z)-2-methoxyimino-3-oxo-butanoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260602 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS60846-14-2
- Purity/Analytical Methods: >99.0%
60846-14-2 / ethyl 2-methoxyimino-3-oxobutanoate
Basic Information
CAS
60846-14-2
Multi CAS
Yes
Molecular Formula
C7H11NO4
Molecular Weight
173.170000
Exact Mass
173.068808
InChI
InChI=1S/C7H11NO4/c1-4-12-7(10)6(5(2)9)8-11-3/h4H2,1-3H3
InChIKey
HASOOENYFDJEAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
41.76
TPSA
64.96
LogP / Solubility
WLOGP
0.14
MLOGP
0.12
XLogP3
0.8
Consensus LogP
0.35
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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