CAS RN: 422269-95-2
Diphenylethyne- 3, 3′, 5, 5′-tetracarboxylic acid (PCN-14)
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 100mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260512 | 100mg / 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20250501 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260208 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250116 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250702 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-150558
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 |
422269-95-2 / 5-[10-(3,5-dicarboxyphenyl)anthracen-9-yl]benzene-1,3-dicarboxylic acid
Basic Information
CAS
422269-95-2
Multi CAS
No
Molecular Formula
C30H18O8
Molecular Weight
506.500000
Exact Mass
506.100168
InChI
InChI=1S/C30H18O8/c31-27(32)17-9-15(10-18(13-17)28(33)34)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29(35)36)14-20(12-16)30(37)38/h1-14H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)
InChIKey
NIFGWZVJZPTKRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
26
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
140.16
TPSA
149.2
LogP / Solubility
WLOGP
6.12
MLOGP
5.42
XLogP3
5.8
Consensus LogP
5.78
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.75
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46
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
5
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