CAS RN: 61469-71-4
(Z)-4-(2-Cyano-2-phenylvinyl)benzonitrile
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.20250619 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINZ906977
61469-71-4 / 4-(2-cyano-2-phenylethenyl)benzonitrile
Basic Information
CAS
61469-71-4
Multi CAS
Yes
Molecular Formula
C16H10N2
Molecular Weight
230.260000
Exact Mass
230.084398
InChI
InChI=1S/C16H10N2/c17-11-14-8-6-13(7-9-14)10-16(12-18)15-4-2-1-3-5-15/h1-10H
InChIKey
LMSMJIGIXAYRRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.08
TPSA
47.58
LogP / Solubility
WLOGP
3.62
MLOGP
3.19
XLogP3
3.4
Consensus LogP
3.4
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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