CAS RN: 72452-47-2
1,3-Bis(3,4-dicyanophenoxy)benzene
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.20250113 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-181949
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: ＞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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
72452-47-2 / 4-[3-(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
Basic Information
CAS
72452-47-2
Multi CAS
No
Molecular Formula
C22H10N4O2
Molecular Weight
362.300000
Exact Mass
362.080376
InChI
InChI=1S/C22H10N4O2/c23-11-15-4-6-21(8-17(15)13-25)27-19-2-1-3-20(10-19)28-22-7-5-16(12-24)18(9-22)14-26/h1-10H
InChIKey
SSIIVKRGBWPLNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
98.33
TPSA
113.62
LogP / Solubility
WLOGP
4.76
MLOGP
4.21
XLogP3
3.9
Consensus LogP
4.29
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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