CAS RN: 102852-92-6
1,3,5-Tris(4-aminophenoxy)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.20250914 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei, Chongqing | Inquiry |
- Product code: SSC-004199
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
102852-92-6 / 4-[3,5-bis(4-aminophenoxy)phenoxy]aniline
1,3,5-TRIS(4-AMINOPHENOXY)BENZENE | RefChem:412691 | 878-922-5
Basic Information
CAS
102852-92-6
Multi CAS
Yes
Molecular Formula
C24H21N3O3
Molecular Weight
399.400000
Exact Mass
399.158292
SMILES
C1=CC(=CC=C1N)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N
InChI
InChI=1S/C24H21N3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H,25-27H2
InChIKey
PAPDRIKTCIYHFI-UHFFFAOYSA-N
Synonyms
1,3,5-TRIS(4-AMINOPHENOXY)BENZENE
RefChem:412691
878-922-5
4-[3,5-bis(4-aminophenoxy)phenoxy]aniline
4,4',4''-(Benzene-1,3,5-triyltris(oxy))trianiline
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
119.23
TPSA
105.75
LogP / Solubility
WLOGP
5.81
MLOGP
5.14
XLogP3
3.7
Consensus LogP
4.88
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
