CAS RN: 72450-34-1
METHYL 2-HYDROXY-2-METHYL-3-OXOBUTYRATE
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.20250218 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS72450-34-1
- Purity/Analytical Methods: >99.0%
72450-34-1 / methyl 2-hydroxy-2-methyl-3-oxobutanoate
Basic Information
CAS
72450-34-1
Multi CAS
Yes
Molecular Formula
C6H10O4
Molecular Weight
146.140000
Exact Mass
146.057909
InChI
InChI=1S/C6H10O4/c1-4(7)6(2,9)5(8)10-3/h9H,1-3H3
InChIKey
LNOXHAVSBXMUOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.32
TPSA
63.6
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.4
Consensus LogP
-0.45
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.97
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
2
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