CAS RN: 767-98-6
1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251228 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS767-98-6
- Purity/Analytical Methods: >99.0%
767-98-6 / 1-methyl-4-oxopyridine-3-carbonitrile
Basic Information
CAS
767-98-6
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
InChI
InChI=1S/C7H6N2O/c1-9-3-2-7(10)6(4-8)5-9/h2-3,5H,1H3
InChIKey
VVNHMAOQCMDJHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
36.4
TPSA
45.79
LogP / Solubility
WLOGP
0.26
MLOGP
0.22
XLogP3
0.2
Consensus LogP
0.23
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-3.36
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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