CAS RN: 96404-79-4
2-Triphenylenecarboxaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260309 | 10mg / 50mg / 200mg / 1g | Confirm by inquiry | Shanghai, Shandong, Hebei | 8-10 business days | Inquiry |
- Product code: SSC-211987
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
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
96404-79-4 / triphenylene-2-carbaldehyde
Basic Information
CAS
96404-79-4
Multi CAS
Yes
Molecular Formula
C19H12O
Molecular Weight
256.300000
Exact Mass
256.088815
InChI
InChI=1S/C19H12O/c20-12-13-9-10-18-16-7-2-1-5-14(16)15-6-3-4-8-17(15)19(18)11-13/h1-12H
InChIKey
NXDGVEYXRSKONY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
84.35
TPSA
17.07
LogP / Solubility
WLOGP
4.96
MLOGP
4.37
XLogP3
4.3
Consensus LogP
4.54
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1115639-92-3 4,4,5,5-Tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3261-jpgcontextbwfzdgvyfhjvb3r8mzywodb8aw1hz2uvanblz3xoodivady2lzg5mzi2njc4odm1ntavvdmynjeuanbnfdmyodrimtjmytg3otzindy5mwrkytexmdzlngyznjayngiwyta3mty2nwyxztrjyjyyzgyxmzc3yjq5ntc0mje.jpeg)
