CAS RN: 7255-83-6
2,2′-biphenyl-4,4′-diyldiacetonitrile
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251222 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINB887447
7255-83-6 / 2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile
Basic Information
CAS
7255-83-6
Multi CAS
Yes
Molecular Formula
C16H12N2
Molecular Weight
232.280000
Exact Mass
232.100048
InChI
InChI=1S/C16H12N2/c17-11-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-12-18/h1-8H,9-10H2
InChIKey
GICPRLWIFVXEPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
70.51
TPSA
47.58
LogP / Solubility
WLOGP
3.49
MLOGP
3.07
XLogP3
2.9
Consensus LogP
3.15
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
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)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 7250-18-2
- Product Code: starshine_CAS7250-18-2
- Purity/Analytical method: >99.0%
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