CAS RN: 40817-08-1
4-Cyano-4′-pentylbiphenyl
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 100g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251101 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251211 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251230 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250815 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260410 | 250mg / 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong, Chongqing | Inquiry |
| Batchno.20250517 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260109 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250715 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: ICTC1550
- Purity/Analytical Methods: >98.0%(GC)
40817-08-1 / 4-(4-pentylphenyl)benzonitrile
Basic Information
CAS
40817-08-1
Multi CAS
Yes
Molecular Formula
C18H19N
Molecular Weight
249.300000
Exact Mass
249.151750
InChI
InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3
InChIKey
HHPCNRKYVYWYAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
79.82
TPSA
23.79
LogP / Solubility
WLOGP
4.96
MLOGP
4.37
XLogP3
5.4
Consensus LogP
4.91
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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)
-0.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
4-Cyano-4”-propyl-p-terphenyl
- CAS RN: 54296-25-2
- Product Code: ICTC3271
- Purity/Analytical method: >98.0%(GC)
-
