CAS RN: 52426-67-2
6-Methyl-3-pyridineacetonitrile
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.20260312 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52426-67-2
- Purity/Analytical Methods: >99.0%
52426-67-2 / 2-(6-methyl-3-pyridinyl)acetonitrile
Basic Information
CAS
52426-67-2
Multi CAS
No
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
InChI
InChI=1S/C8H8N2/c1-7-2-3-8(4-5-9)6-10-7/h2-3,6H,4H2,1H3
InChIKey
ZTPNSVPRINUIGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.29
TPSA
36.68
LogP / Solubility
WLOGP
1.46
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
PHOSPHORIC ACID TRIS(8-QUINOLYL ESTER)
- CAS RN: 52429-99-9
- Product Code: starshine_CAS52429-99-9
- Purity/Analytical method: >99.0%
-
-
