CAS RN: 41122-70-7
4-Cyano-4′-hexylbiphenyl
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250420 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250410 | 10g | Out of stock | Inquiry | |
| Batchno.20250319 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250722 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260527 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: ICTC3154
- Purity/Analytical Methods: >98.0%(GC)
41122-70-7 / 4-(4-hexylphenyl)benzonitrile
Basic Information
CAS
41122-70-7
Multi CAS
Yes
Molecular Formula
C19H21N
Molecular Weight
263.400000
Exact Mass
263.167400
InChI
InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3
InChIKey
VADSDVGLFDVIMG-UHFFFAOYSA-N
Physical Properties
Physical Description
Milky-white thick liquid. (NTP, 1992)
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
84.44
TPSA
23.79
LogP / Solubility
WLOGP
5.35
MLOGP
4.71
XLogP3
6.2
Consensus LogP
5.42
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-0.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 96184-40-6 4-[trans-4-[(E)-1-Propenyl]cyclohexyl]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2378-jpgcontextbwfzdgvyfhjvb3r8mju5odr8aw1hz2uvanblz3xootmvadewlzg5mzixmzi1mtk5njyvudiznzguanbnfdjmymu0m2yzmdhln2i0otk2yzjjmzmwyjdknzexodiyythlmtrmzmi4ymjknjqwm2mzzda2zmfhmmzhztlhmdg.jpeg)
