CAS RN: 53712-75-7
4-CYCLOPROPYL-4-OXOBUTYRIC ACID
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.20250304 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53712-75-7
- Purity/Analytical Methods: >99.0%
53712-75-7 / 4-cyclopropyl-4-oxobutanoic acid
Basic Information
CAS
53712-75-7
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H10O3/c8-6(5-1-2-5)3-4-7(9)10/h5H,1-4H2,(H,9,10)
InChIKey
ISZLFKWEBSKHTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.6
TPSA
54.37
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
-0.2
Consensus LogP
0.45
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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
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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![CAS 53716-82-8 (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53716-82-8.gif)
