CAS RN: 63163-08-6
Dimethyl (S)-(-)-Methylsuccinate
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.20250418 | 1g | In stock | Shanghai | Inquiry |
- Product code: ICTM1232
- Purity/Analytical Methods: >98.0%(GC)
63163-08-6 / dimethyl 2-methylbutanedioate
Basic Information
CAS
63163-08-6
Multi CAS
Yes
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
InChI
InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
InChIKey
NFOQJNGQQXICBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
37.81
TPSA
52.6
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
0.4
Consensus LogP
0.36
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.44
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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- Product Code: ICTM1230
- Purity/Analytical method: >97.0%(GC)
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