CAS RN: 83385-58-4
diethyl 2-(diMethoxyMethyl)Malonate
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.20250121 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS83385-58-4
- Purity/Analytical Methods: >99.0%
83385-58-4 / diethyl 2,2-bis(methoxymethyl)propanedioate
Basic Information
CAS
83385-58-4
Multi CAS
Yes
Molecular Formula
C11H20O6
Molecular Weight
248.270000
Exact Mass
248.125988
InChI
InChI=1S/C11H20O6/c1-5-16-9(12)11(7-14-3,8-15-4)10(13)17-6-2/h5-8H2,1-4H3
InChIKey
MWZYXNWXQHQNHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
59.45
TPSA
71.06
LogP / Solubility
WLOGP
0.39
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.56
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)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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