CAS RN: 56512-18-6
Potassium 2-cyclopropyl-2-oxoacetate
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.20250329 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56512-18-6
- Purity/Analytical Methods: >99.0%
56512-18-6 / potassium 2-cyclopropyl-2-oxoacetate
Basic Information
CAS
56512-18-6
Multi CAS
Yes
Molecular Formula
C5H5KO3
Molecular Weight
152.190000
Exact Mass
151.987576
InChI
InChI=1S/C5H6O3.K/c6-4(5(7)8)3-1-2-3;/h3H,1-2H2,(H,7,8);/q;+1/p-1
InChIKey
BIHOEOFKAILDIR-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
22.74
TPSA
57.2
LogP / Solubility
WLOGP
-4.28
MLOGP
-3.77
XLogP3
-4.28
Consensus LogP
-4.11
Log S (ESOL)
2.05
Class (ESOL)
Highly soluble
Log S (Ali)
2.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.66
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.69
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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