CAS RN: 83540-97-0
DIISOPROPYL (R)-(+)-MALATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 1g / 10g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS83540-97-0
- Purity/Analytical Methods: >99.0%
83540-97-0 / dipropan-2-yl 2-hydroxybutanedioate
Basic Information
CAS
83540-97-0
Multi CAS
Yes
Molecular Formula
C10H18O5
Molecular Weight
218.250000
Exact Mass
218.115424
InChI
InChI=1S/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3
InChIKey
XYVHRFVONMVDGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.08
TPSA
72.83
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
0.9
Consensus LogP
0.7
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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