CAS RN: 29102-61-2
1, 3, 5-Tris(4-nitrophenyl)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.20250218 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-131331
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
29102-61-2 / 1,3,5-tris(4-nitrophenyl)benzene
Basic Information
CAS
29102-61-2
Multi CAS
No
Molecular Formula
C24H15N3O6
Molecular Weight
441.400000
Exact Mass
441.096085
InChI
InChI=1S/C24H15N3O6/c28-25(29)22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)26(30)31)15-21(14-19)18-5-11-24(12-6-18)27(32)33/h1-15H
InChIKey
GCJMOUZZEAVLLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
122.71
TPSA
129.42
LogP / Solubility
WLOGP
6.41
MLOGP
5.67
XLogP3
6.3
Consensus LogP
6.13
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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