CAS RN: 50446-43-0
1,3,5-Tri(p-tolyl)benzene
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.20250511 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong | Inquiry |
- Product code: SSC-156999
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
50446-43-0 / 1,3,5-tris(4-methylphenyl)benzene
Basic Information
CAS
50446-43-0
Multi CAS
No
Molecular Formula
C27H24
Molecular Weight
348.500000
Exact Mass
348.187801
InChI
InChI=1S/C27H24/c1-19-4-10-22(11-5-19)25-16-26(23-12-6-20(2)7-13-23)18-27(17-25)24-14-8-21(3)9-15-24/h4-18H,1-3H3
InChIKey
XMGRUKCVUYLTKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
3
Molar refractivity
116.96
TPSA
0.0000
LogP / Solubility
WLOGP
7.61
MLOGP
6.72
XLogP3
7.9
Consensus LogP
7.41
Log S (ESOL)
-7.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
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)
0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
