CAS RN: 89444-19-9
Sodium 4-hydroxy-3,3-dimethyl-2-oxobutanoate
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.20260227 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89444-19-9
- Purity/Analytical Methods: >99.0%
89444-19-9 / sodium 4-hydroxy-3,3-dimethyl-2-oxobutanoate
Basic Information
CAS
89444-19-9
Multi CAS
No
Molecular Formula
C6H9NAO4
Molecular Weight
168.120000
Exact Mass
168.039853
InChI
InChI=1S/C6H10O4.Na/c1-6(2,3-7)4(8)5(9)10;/h7H,3H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey
RQTYRHPYDSIWCD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
30.88
TPSA
77.43
LogP / Solubility
WLOGP
-4.67
MLOGP
-4.12
XLogP3
-4.67
Consensus LogP
-4.49
Log S (ESOL)
2.26
Class (ESOL)
Highly soluble
Log S (Ali)
2.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.77
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)
-7.06
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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- CAS RN: 89451-59-2
- Product Code: starshine_CAS89451-59-2
- Purity/Analytical method: >99.0%
