CAS RN: 163087-28-3
4′-(9-Anthracenyl)-2,2′:6′,2”-terpyridine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260217 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: LINA888138
163087-28-3 / 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine
Basic Information
CAS
163087-28-3
Multi CAS
No
Molecular Formula
C29H19N3
Molecular Weight
409.500000
Exact Mass
409.157898
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC(=NC(=C4)C5=CC=CC=N5)C6=CC=CC=N6
InChI
InChI=1S/C29H19N3/c1-3-11-23-20(9-1)17-21-10-2-4-12-24(21)29(23)22-18-27(25-13-5-7-15-30-25)32-28(19-22)26-14-6-8-16-31-26/h1-19H
InChIKey
SBJMNAHBRGPXQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
32
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
131.15
TPSA
38.67
LogP / Solubility
WLOGP
7.18
MLOGP
6.34
XLogP3
6.2
Consensus LogP
6.57
Log S (ESOL)
-7.44
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
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)
-0.12
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
4
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