![CAS 84907-55-1 4-[2-(4-formylphenyl)ethynyl]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84907-55-1.gif)
CAS RN: 84907-55-1
4-[2-(4-formylphenyl)ethynyl]benzaldehyde
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.20260621 | 100mg / 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-192652
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
84907-55-1 / anthracene-9,10-dicarbaldehyde
Basic Information
CAS
84907-55-1
Multi CAS
Yes
Molecular Formula
C16H10O2
Molecular Weight
234.250000
Exact Mass
234.068080
InChI
InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H
InChIKey
SBRUFOSORMQHES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.23
TPSA
34.14
LogP / Solubility
WLOGP
3.62
MLOGP
3.19
XLogP3
3.3
Consensus LogP
3.37
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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