CAS RN: 64291-96-9
3-methyl-2-(p-tolyl)pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260227 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS64291-96-9
- Purity/Analytical Methods: >99.0%
64291-96-9 / 3-methyl-2-(4-methylphenyl)pyridine
Basic Information
CAS
64291-96-9
Multi CAS
No
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
InChI
InChI=1S/C13H13N/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14-13/h3-9H,1-2H3
InChIKey
RYRDKQYQAMRCHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.15
TPSA
12.89
LogP / Solubility
WLOGP
3.37
MLOGP
2.96
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-1.45
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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