CAS RN: 1587-15-1
Dimethyl DL-Malate
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.20250124 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-066947
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g
- Available purity: 0
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | 0 | 0 Out of Stock | Beijing | Inquiry |
1587-15-1 / dimethyl 2-hydroxybutanedioate
Basic Information
CAS
1587-15-1
Multi CAS
No
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
SMILES
COC(=O)CC(C(=O)OC)O
InChI
InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
34.66
TPSA
72.83
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.81
XLogP3
-0.7
Consensus LogP
-0.81
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.36
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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