CAS RN: 116941-51-6
4-Chloro-5′-phenyl-1,1′:3′,1”-terphenyl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 200mg | In stock | Shanghai | Inquiry |
- Product code: SSC-016761
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: 1g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
116941-51-6 / 1-(4-chlorophenyl)-3,5-diphenylbenzene
4-Chloro-5'-phenyl-1,1':3',1''-terphenyl | 1-(4-Chlorophenyl)-3,5-diphenylbenzene | MFCD28386095
Basic Information
CAS
116941-51-6
Multi CAS
No
Molecular Formula
C24H17Cl
Molecular Weight
340.800000
Exact Mass
340.101878
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H17Cl/c25-24-13-11-20(12-14-24)23-16-21(18-7-3-1-4-8-18)15-22(17-23)19-9-5-2-6-10-19/h1-17H
InChIKey
FZOIFXXPBLTVIG-UHFFFAOYSA-N
Synonyms
4-Chloro-5'-phenyl-1,1':3',1''-terphenyl
1-(4-Chlorophenyl)-3,5-diphenylbenzene
MFCD28386095
1,1':3',1''-Terphenyl, 4-chloro-5'-phenyl-
1-(4-chlorophenyl)-3,5-diphenyl-benzene
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
Molar refractivity
107.76
TPSA
0.0000
LogP / Solubility
WLOGP
7.34
MLOGP
6.48
XLogP3
7.9
Consensus LogP
7.24
Log S (ESOL)
-7.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
