CAS RN: 415912-70-8
2-Pyridineacetonitrile,4-amino-(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.20250117 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS415912-70-8
- Purity/Analytical Methods: >99.0%
415912-70-8 / 2-(4-amino-2-pyridinyl)acetonitrile
Basic Information
CAS
415912-70-8
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
InChI
InChI=1S/C7H7N3/c8-3-1-7-5-6(9)2-4-10-7/h2,4-5H,1H2,(H2,9,10)
InChIKey
JMGSAGXXJFWLAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.97
TPSA
62.7
LogP / Solubility
WLOGP
0.73
MLOGP
0.63
XLogP3
-0.1
Consensus LogP
0.42
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-3.01
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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