CAS RN: 146356-11-8
3-Pyridinecarbonitrile, 6-amino-5-formyl- (9CI)
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.20260212 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS146356-11-8
- Purity/Analytical Methods: >99.0%
146356-11-8 / 6-amino-5-formylpyridine-3-carbonitrile
Basic Information
CAS
146356-11-8
Multi CAS
No
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
SMILES
C1=C(C=NC(=C1C=O)N)C#N
InChI
InChI=1S/C7H5N3O/c8-2-5-1-6(4-11)7(9)10-3-5/h1,3-4H,(H2,9,10)
InChIKey
FSFQJWOFPHOOKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.75
TPSA
79.77
LogP / Solubility
WLOGP
0.35
MLOGP
0.3
XLogP3
0.2
Consensus LogP
0.28
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
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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