CAS RN: 10355-53-0
4-Nitro-p-terphenyl
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-005134
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
10355-53-0 / 1-(4-nitrophenyl)-4-phenylbenzene
4-Nitro-p-terphenyl | 1,1':4',1''-TERPHENYL, 4-NITRO- | DTXSID30145897
Basic Information
CAS
10355-53-0
Multi CAS
Yes
Molecular Formula
C18H13NO2
Molecular Weight
275.300000
Exact Mass
275.094629
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H13NO2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKey
IMMGNSJGTWWGJB-UHFFFAOYSA-N
Synonyms
4-Nitro-p-terphenyl
1,1':4',1''-TERPHENYL, 4-NITRO-
DTXSID30145897
RefChem:1071289
DTXCID3068388
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
83.97
TPSA
43.14
LogP / Solubility
WLOGP
4.93
MLOGP
4.35
XLogP3
5.4
Consensus LogP
4.89
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
