CAS RN: 60366-39-4
2-Nitro-1,1′:2′,1′′-terphenyl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250421 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60366-39-4
- Purity/Analytical Methods: >99.0%
60366-39-4 / 1-(2-nitrophenyl)-2-phenylbenzene
Basic Information
CAS
60366-39-4
Multi CAS
No
Molecular Formula
C18H13NO2
Molecular Weight
275.300000
Exact Mass
275.094629
InChI
InChI=1S/C18H13NO2/c20-19(21)18-13-7-6-12-17(18)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13H
InChIKey
GTKTWWPIUJSHMQ-UHFFFAOYSA-N
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
Consensus LogP
4.76
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
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