CAS RN: 62957-60-2
2-ethoxyacetonitrile
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.20260129 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS62957-60-2
- Purity/Analytical Methods: >99.0%
62957-60-2 / 2-ethoxyacetonitrile
Basic Information
CAS
62957-60-2
Multi CAS
Yes
Molecular Formula
C4H7NO
Molecular Weight
85.100000
Exact Mass
85.052764
InChI
InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3
InChIKey
WPYUCWSMVJJWFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
22.11
TPSA
33.02
LogP / Solubility
WLOGP
0.55
MLOGP
0.47
XLogP3
0.2
Consensus LogP
0.41
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-2.85
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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