![CAS 94412-40-5 4′-(trans-4-Propylcyclohexyl)-[1,1′-biphenyl]-4-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p888263.gif)
CAS RN: 94412-40-5
4′-(trans-4-Propylcyclohexyl)-[1,1′-biphenyl]-4-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-209194
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
94412-40-5 / 4-[4-(4-propylcyclohexyl)phenyl]benzonitrile
Basic Information
CAS
94412-40-5
Multi CAS
Yes
Molecular Formula
C22H25N
Molecular Weight
303.400000
Exact Mass
303.198700
InChI
InChI=1S/C22H25N/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/h6-7,10-15,17,19H,2-5,8-9H2,1H3
InChIKey
CRCASZFDSWMENA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
96.2
TPSA
23.79
LogP / Solubility
WLOGP
6.3
MLOGP
5.56
XLogP3
7.1
Consensus LogP
6.32
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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