CAS RN: 78790-86-0
3-ethoxyisonicotinonitrile
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.20260322 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS78790-86-0
- Purity/Analytical Methods: >99.0%
78790-86-0 / 3-ethoxypyridine-4-carbonitrile
Basic Information
CAS
78790-86-0
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
InChI
InChI=1S/C8H8N2O/c1-2-11-8-6-10-4-3-7(8)5-9/h3-4,6H,2H2,1H3
InChIKey
RCGBFDXSJLKYNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.12
TPSA
45.91
LogP / Solubility
WLOGP
1.35
MLOGP
1.18
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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