CAS RN: 865435-20-7
9,10-Di(naphthalen-2-yl)-2-phenylanthracene
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.20250517 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTD5627
- Purity/Analytical Methods: >98.0%(HPLC)
865435-20-7 / 9,10-dinaphthalen-2-yl-2-phenylanthracene
Basic Information
CAS
865435-20-7
Multi CAS
No
Molecular Formula
C40H26
Molecular Weight
506.600000
Exact Mass
506.203451
InChI
InChI=1S/C40H26/c1-2-10-27(11-3-1)32-22-23-37-38(26-32)40(34-21-19-29-13-5-7-15-31(29)25-34)36-17-9-8-16-35(36)39(37)33-20-18-28-12-4-6-14-30(28)24-33/h1-26H
InChIKey
RFVBBELSDAVRHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
40
Rotatable bonds
3
Molar refractivity
172.77
TPSA
0.0000
LogP / Solubility
WLOGP
11.3
MLOGP
9.98
XLogP3
11.8
Consensus LogP
11.03
Log S (ESOL)
-10.64
Class (ESOL)
Insoluble
Log S (Ali)
-11.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.69
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)
2.21
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
6.5
