CAS RN: 840503-80-2
Hexakis(4-aminophenyl)benzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-191668
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
840503-80-2 / 4-[2,3,4,5,6-pentakis(4-aminophenyl)phenyl]aniline
Basic Information
CAS
840503-80-2
Multi CAS
No
Molecular Formula
C42H36N6
Molecular Weight
624.800000
Exact Mass
624.300145
InChI
InChI=1S/C42H36N6/c43-31-13-1-25(2-14-31)37-38(26-3-15-32(44)16-4-26)40(28-7-19-34(46)20-8-28)42(30-11-23-36(48)24-12-30)41(29-9-21-35(47)22-10-29)39(37)27-5-17-33(45)18-6-27/h1-24H,43-48H2
InChIKey
NHWYHWCSDIIDAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
42
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
205.53
TPSA
156.12
LogP / Solubility
WLOGP
9.18
MLOGP
8.13
XLogP3
7.6
Consensus LogP
8.3
Log S (ESOL)
-9.75
Class (ESOL)
Insoluble
Log S (Ali)
-11.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.01
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
6
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