![CAS 2680651-89-0 4,4′-(1H-benzo[d]imidazole-4,7-diyl)dibenzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB84809263.gif)
CAS RN: 2680651-89-0
4,4′-(1H-benzo[d]imidazole-4,7-diyl)dibenzaldehyde
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.20260430 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS2680651-89-0
- Purity/Analytical Methods: >99.0%
2680651-89-0 / 4-[7-(4-formylphenyl)-3H-benzimidazol-4-yl]benzaldehyde
Basic Information
CAS
2680651-89-0
Multi CAS
No
Molecular Formula
C21H14N2O2
Molecular Weight
326.300000
Exact Mass
326.105528
SMILES
C1=CC(=CC=C1C=O)C2=C3C(=C(C=C2)C4=CC=C(C=C4)C=O)N=CN3
InChI
InChI=1S/C21H14N2O2/c24-11-14-1-5-16(6-2-14)18-9-10-19(21-20(18)22-13-23-21)17-7-3-15(12-25)4-8-17/h1-13H,(H,22,23)
InChIKey
WJZRPFNGSBOFMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
21
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.74
TPSA
62.82
LogP / Solubility
WLOGP
4.52
MLOGP
3.99
XLogP3
3.7
Consensus LogP
4.07
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
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
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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