CAS RN: 617-48-1
Malic acid
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.20260201 | 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS617-48-1
- Purity/Analytical Methods: >99.0%
617-48-1 / 2-hydroxybutanedioic acid
Basic Information
CAS
617-48-1
Multi CAS
Yes
Molecular Formula
C4H6O5
Molecular Weight
134.090000
Exact Mass
134.021523
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
InChIKey
BJEPYKJPYRNKOW-UHFFFAOYSA-N
Physical Properties
Melting Point
127-132 °C
130.97 °C /OECD Guideline 102 (Melting point / Melting Range)/
Crystals; MP: 101 °C /D(+)-Form/
Boiling Point
Decomposes at >225 °C and
Density
1.601 g/ cu cm at 20 °C
Physical Description
Dry Powder; Liquid
White or nearly white crystalline powder or granules
Colorless solid; [Hawley] Nearly white or white crystalline powder or granules; [JECFA]
Appearance
Colorless crystals
White, crystalline triclinic crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
25.9
TPSA
94.83
LogP / Solubility
WLOGP
-1.09
MLOGP
-0.97
XLogP3
-1.3
Consensus LogP
-1.12
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.02
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)
-4.31
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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