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, 5g, 10g, 1g
- 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% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 2 In Stock | Beijing | Inquiry |
1402838-08-7 / 2-(1-tritylimidazol-4-yl)benzaldehyde
Basic Information
CAS
1402838-08-7
Multi CAS
No
Molecular Formula
C29H22N2O
Molecular Weight
414.500000
Exact Mass
414.173213
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=CC=CC=C5C=O
InChI
InChI=1S/C29H22N2O/c32-21-23-12-10-11-19-27(23)28-20-31(22-30-28)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-22H
InChIKey
ARCOTNOWDCVWJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
29
Fraction Csp3
0.03
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
127.66
TPSA
34.89
LogP / Solubility
WLOGP
6.2
MLOGP
5.48
XLogP3
5.9
Consensus LogP
5.86
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
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)
-0.84
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
3.5
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