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CAS 58743-76-3 4-Cyano-4′-propylbiphenyl molecular structure lightbox
CAS RN: 58743-76-3

4-Cyano-4′-propylbiphenyl

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20250611 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250330 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251105 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
  • Product code: ICTC2764
  • Purity/Analytical Methods: >99.0%(GC)
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58743-76-3 / 4-(4-propylphenyl)benzonitrile

Standard CAS: 58743-76-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58743-76-3
Multi CAS
Yes
Molecular Formula
C16H15N
Molecular Weight
221.300000
Exact Mass
221.120449
InChI
InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
InChIKey
XFMPTZWVMVMELB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
70.59
TPSA
23.79

LogP / Solubility

WLOGP
4.18
MLOGP
3.68
XLogP3
4.6
Consensus LogP
4.15
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1

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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