CAS RN: 1644447-20-0
3-Pyridinecarbonitrile, 6-cyclopropyl-2-methyl-
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-071891
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1644447-20-0 / 6-cyclopropyl-2-methylpyridine-3-carbonitrile
Basic Information
CAS
1644447-20-0
Multi CAS
No
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
SMILES
CC1=C(C=CC(=N1)C2CC2)C#N
InChI
InChI=1S/C10H10N2/c1-7-9(6-11)4-5-10(12-7)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKey
YRGKZGGCCCLUKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.66
TPSA
36.68
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.5
Consensus LogP
1.84
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-2.17
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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