CAS RN: 10368-47-5
2,4,6-Triphenylnitrobenzene
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-005268
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
10368-47-5 / 2-nitro-1,3,5-triphenylbenzene
2,4,6-Triphenylnitrobenzene | DTXSID60389308 | RefChem:245884
Basic Information
CAS
10368-47-5
Multi CAS
No
Molecular Formula
C24H17NO2
Molecular Weight
351.400000
Exact Mass
351.125929
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C24H17NO2/c26-25(27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H
InChIKey
VCRVMYZAKLXTFQ-UHFFFAOYSA-N
Synonyms
2,4,6-Triphenylnitrobenzene
DTXSID60389308
RefChem:245884
DTXCID90340169
2-nitro-1,3,5-triphenylbenzene
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
109.4
TPSA
43.14
LogP / Solubility
WLOGP
6.6
MLOGP
5.82
XLogP3
6.6
Consensus LogP
6.34
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
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)
-0.18
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
