CAS RN: 116941-52-7
4-Bromo-5′-phenyl-1,1′:3′,1”-terphenyl
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
- Product code: SSC-016762
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 | Hong Kong | Inquiry |
116941-52-7 / 1-(4-bromophenyl)-3,5-diphenylbenzene
4-Bromo-5'-phenyl-1,1':3',1''-terphenyl | DTXSID401281172 | RefChem:1070406
Basic Information
CAS
116941-52-7
Multi CAS
No
Molecular Formula
C24H17Br
Molecular Weight
385.300000
Exact Mass
384.051360
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C24H17Br/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
SIAJAYFLPBYCOF-UHFFFAOYSA-N
Synonyms
4-Bromo-5'-phenyl-1,1':3',1''-terphenyl
DTXSID401281172
RefChem:1070406
DTXCID401710977
1-(4-Bromophenyl)-3,5-diphenylbenzene
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
Molar refractivity
110.45
TPSA
0.0000
LogP / Solubility
WLOGP
7.45
MLOGP
6.58
XLogP3
7.5
Consensus LogP
7.18
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
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
Yes
Log Kp (skin permeation)
0.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
