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CAS 54296-25-2 4-Cyano-4”-propyl-p-terphenyl molecular structure lightbox
CAS RN: 54296-25-2

4-Cyano-4”-propyl-p-terphenyl

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 200mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260524 1g In stock Shenzhen Inquiry
Batchno.20260110 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTC3271
  • Purity/Analytical Methods: >98.0%(GC)
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54296-25-2 / 4-[4-(4-propylphenyl)phenyl]benzonitrile

Standard CAS: 54296-25-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54296-25-2
Multi CAS
Yes
Molecular Formula
C22H19N
Molecular Weight
297.400000
Exact Mass
297.151750
InChI
InChI=1S/C22H19N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h4-15H,2-3H2,1H3
InChIKey
PWZKBBQJWUEPOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
96.02
TPSA
23.79

LogP / Solubility

WLOGP
5.84
MLOGP
5.16
XLogP3
6.2
Consensus LogP
5.73
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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