CAS RN: 6970-57-6
3-ETHYL-3-METHYLGLUTARIC ANHYDRIDE
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.20260411 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6970-57-6
- Purity/Analytical Methods: >99.0%
6970-57-6 / 4-ethyl-4-methyloxane-2,6-dione
Basic Information
CAS
6970-57-6
Multi CAS
Yes
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
InChI
InChI=1S/C8H12O3/c1-3-8(2)4-6(9)11-7(10)5-8/h3-5H2,1-2H3
InChIKey
VSVZSLYJGKSCBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
38.73
TPSA
43.37
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.77
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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