CAS RN: 6140-61-0
2,2 DIMETHYL-4-CYANOBUTYRALDEHYDE
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.20250306 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6140-61-0
- Purity/Analytical Methods: >99.0%
6140-61-0 / 4,4-dimethyl-5-oxopentanenitrile
Basic Information
CAS
6140-61-0
Multi CAS
Yes
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3
InChIKey
HKJVKIURQSVEQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
34.69
TPSA
40.86
LogP / Solubility
WLOGP
1.52
MLOGP
1.32
XLogP3
0.6
Consensus LogP
1.15
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.41
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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- CAS RN: 6150-01-2
- Product Code: starshine_CAS6150-01-2
- Purity/Analytical method: >99.0%
