CAS RN: 6946-89-0
4-(2-METHOXYETHOXY)-4-OXOBUTANOIC 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.20260328 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS6946-89-0
- Purity/Analytical Methods: >99.0%
6946-89-0 / 4-(2-methoxyethoxy)-4-oxobutanoic acid
Basic Information
CAS
6946-89-0
Multi CAS
Yes
Molecular Formula
C7H12O5
Molecular Weight
176.170000
Exact Mass
176.068473
InChI
InChI=1S/C7H12O5/c1-11-4-5-12-7(10)3-2-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKey
CKCOHXVHUGFEHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.7
TPSA
72.83
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
-0.6
Consensus LogP
-0.18
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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