CAS RN: 518359-82-5
OCTA(AMINOPHENYL)-T8-SILESQUIOXANE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251027 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS518359-82-5
- Purity/Analytical Methods: >99.0%
518359-82-5 / 4-[3,5,7,9,11,13,15-heptakis(4-aminophenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]aniline
Basic Information
CAS
518359-82-5
Multi CAS
Yes
Molecular Formula
C48H48N8O12Si8
Molecular Weight
1153.600000
Exact Mass
1152.154581
InChI
InChI=1S/C48H48N8O12Si8/c49-33-1-17-41(18-2-33)69-57-70(42-19-3-34(50)4-20-42)60-73(45-25-9-37(53)10-26-45)62-71(58-69,43-21-5-35(51)6-22-43)64-75(47-29-13-39(55)14-30-47)65-72(59-69,44-23-7-36(52)8-24-44)63-74(61-70,46-27-11-38(54)12-28-46)67-76(66-73,68-75)48-31-15-40(56)16-32-48/h1-32H,49-56H2
InChIKey
POCWMDTVORZLKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
76
Aromatic heavy atom count
48
Rotatable bonds
8
H-bond acceptors
20
H-bond donors
8
Molar refractivity
302.96
TPSA
318.92
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.17
XLogP3
-0.32
Consensus LogP
-0.27
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
