CAS RN: 865435-18-3
2,9,10-tri(naphthaleN-2-yl)anthracene
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.20250105 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS865435-18-3
- Purity/Analytical Methods: >99.0%
865435-18-3 / 2,9,10-trinaphthalen-2-ylanthracene
Basic Information
CAS
865435-18-3
Multi CAS
No
Molecular Formula
C44H28
Molecular Weight
556.700000
Exact Mass
556.219101
InChI
InChI=1S/C44H28/c1-4-12-32-25-35(20-17-29(32)9-1)36-23-24-41-42(28-36)44(38-22-19-31-11-3-6-14-34(31)27-38)40-16-8-7-15-39(40)43(41)37-21-18-30-10-2-5-13-33(30)26-37/h1-28H
InChIKey
GRZQCUPEOIVZBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
44
Rotatable bonds
3
Molar refractivity
190.28
TPSA
0.0000
LogP / Solubility
WLOGP
12.45
MLOGP
11
XLogP3
13.1
Consensus LogP
12.18
Log S (ESOL)
-11.68
Class (ESOL)
Insoluble
Log S (Ali)
-13.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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