CAS RN: 43083-13-2
2-OXO-6-PHENYL-1,2-DIHYDRO-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 | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260223 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS43083-13-2
- Purity/Analytical Methods: >99.0%
43083-13-2 / 2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
Basic Information
CAS
43083-13-2
Multi CAS
Yes
Molecular Formula
C12H8N2O
Molecular Weight
196.200000
Exact Mass
196.063663
InChI
InChI=1S/C12H8N2O/c13-8-10-6-7-11(14-12(10)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKey
KTUZHAVCKLQHCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.21
TPSA
56.65
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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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