CAS RN: 60979-68-2
(R)-2,4-Dihydroxy-3,3-dimethylbutyric acid sodium salt
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250127 | 10mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS60979-68-2
- Purity/Analytical Methods: >99.0%
60979-68-2 / sodium (2R)-2,4-dihydroxy-3,3-dimethylbutanoate
Basic Information
CAS
60979-68-2
Multi CAS
Yes
Molecular Formula
C6H11NAO4
Molecular Weight
170.140000
Exact Mass
170.055503
InChI
InChI=1S/C6H12O4.Na/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1/t4-;/m0./s1
InChIKey
XTIMSSMEPPKSQD-WCCKRBBISA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
31.88
TPSA
80.59
LogP / Solubility
WLOGP
-4.88
MLOGP
-4.3
XLogP3
-4.88
Consensus LogP
-4.69
Log S (ESOL)
2.38
Class (ESOL)
Highly soluble
Log S (Ali)
2.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.92
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)
-7.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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