CAS RN: 1469704-61-7
3CzClIPN
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260124 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20251011 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260227 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260208 | 5g | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250709 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-057831
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1469704-61-7 / 2,4,6-tri(carbazol-9-yl)-5-chlorobenzene-1,3-dicarbonitrile
Basic Information
CAS
1469704-61-7
Multi CAS
No
Molecular Formula
C44H24ClN5
Molecular Weight
658.100000
Exact Mass
657.172024
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)Cl)N8C9=CC=CC=C9C1=CC=CC=C18)C#N
InChI
InChI=1S/C44H24ClN5/c45-41-43(49-37-21-9-3-15-29(37)30-16-4-10-22-38(30)49)33(25-46)42(48-35-19-7-1-13-27(35)28-14-2-8-20-36(28)48)34(26-47)44(41)50-39-23-11-5-17-31(39)32-18-6-12-24-40(32)50/h1-24H
InChIKey
AETFKBFYWGEUOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
45
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
203.9
TPSA
62.37
LogP / Solubility
WLOGP
11.37
MLOGP
10.06
XLogP3
11.2
Consensus LogP
10.88
Log S (ESOL)
-11.55
Class (ESOL)
Insoluble
Log S (Ali)
-13.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.74
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.34
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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