CAS RN: 2572545-34-5
INDEX NAME NOT YET ASSIGNED
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.20250419 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-122187
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2572545-34-5 / 4-[5,8,11-tris(4-aminophenyl)perylen-2-yl]aniline
Basic Information
CAS
2572545-34-5
Multi CAS
No
Molecular Formula
C44H32N4
Molecular Weight
616.700000
Exact Mass
616.262697
SMILES
C1=CC(=CC=C1C2=CC3=CC(=CC4=C3C(=C2)C5=CC(=CC6=CC(=CC4=C65)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)C9=CC=C(C=C9)N)N
InChI
InChI=1S/C44H32N4/c45-35-9-1-25(2-10-35)29-17-33-18-30(26-3-11-36(46)12-4-26)23-41-42-24-32(28-7-15-38(48)16-8-28)20-34-19-31(27-5-13-37(47)14-6-27)22-40(44(34)42)39(21-29)43(33)41/h1-24H,45-48H2
InChIKey
XZURDRYHGJWVRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
207.05
TPSA
104.08
LogP / Solubility
WLOGP
10.73
MLOGP
9.5
XLogP3
9.5
Consensus LogP
9.91
Log S (ESOL)
-10.84
Class (ESOL)
Insoluble
Log S (Ali)
-12.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.06
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)
1.14
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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