CAS RN: 118688-53-2
1,3,5-Tris(4-formylphenyl)benzene
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.20250821 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | 5-7 business days | Inquiry |
- Product code: SSC-018607
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
118688-53-2 / 4-[3,5-bis(4-formylphenyl)phenyl]benzaldehyde
1,3,5-tris(4-formylphenyl)benzene | RefChem:412696 | 881-589-9
Basic Information
CAS
118688-53-2
Multi CAS
Yes
Molecular Formula
C27H18O3
Molecular Weight
390.400000
Exact Mass
390.125594
SMILES
C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H
InChIKey
ZCJZVMNBJKPQEV-UHFFFAOYSA-N
Synonyms
1,3,5-tris(4-formylphenyl)benzene
RefChem:412696
881-589-9
1,3,5-Tris(p-formylphenyl)benzene
5'-(4-Formylphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
118.91
TPSA
51.21
LogP / Solubility
WLOGP
6.13
MLOGP
5.41
XLogP3
5.2
Consensus LogP
5.58
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
