![CAS 617706-61-3 4-[tris(4-formylphenyl)methyl]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t887461.gif)
CAS RN: 617706-61-3
4-[tris(4-formylphenyl)methyl]benzaldehyde
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-170703
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 |
617706-61-3 / 4-[tris(4-formylphenyl)methyl]benzaldehyde
Basic Information
CAS
617706-61-3
Multi CAS
No
Molecular Formula
C29H20O4
Molecular Weight
432.500000
Exact Mass
432.136159
InChI
InChI=1S/C29H20O4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-20H
InChIKey
NKFUMXIARBFRPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.03
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
126.3
TPSA
68.28
LogP / Solubility
WLOGP
5.32
MLOGP
4.71
XLogP3
4.8
Consensus LogP
4.94
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.58
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
3
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![CAS 1416786-56-5 [1,1′-Biphenyl]-4-amine, 4′,4”’,4””’,4”””’-(1,2-ethenediylidene)tetrakis[N,N-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1416786-56-5.png)
