CAS RN: 25232-42-2
POLYVINYLIMIDAZOLE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS25232-42-2
- Purity/Analytical Methods: >99.0%
25232-42-2 / 1-ethenylimidazole
Basic Information
CAS
25232-42-2
Multi CAS
No
Molecular Formula
C5H6N2
Molecular Weight
94.110000
Exact Mass
94.053098
SMILES
C=CN1C=CN=C1
InChI
InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
InChIKey
OSSNTDFYBPYIEC-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
Yellow liquid with an odor like amines
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
28.61
TPSA
17.82
LogP / Solubility
WLOGP
0.98
MLOGP
0.85
XLogP3
0.5
Consensus LogP
0.78
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-2.6
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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