![CAS 914651-17-5 4,4′-(benzo[c][1,2,5]thiadiazole-4,7-diyl)dibenzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/914651-17-5.png)
CAS RN: 914651-17-5
4,4′-(benzo[c][1,2,5]thiadiazole-4,7-diyl)dibenzaldehyde
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250508 | 100mg | In stock | Shanghai, Shandong, Hebei | Inquiry | |
| Batchno.20260428 | 100mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry | |
| Batchno.20250213 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250711 | 1g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20250104 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250420 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20251018 | 25g | In stock | Shandong | Inquiry | |
| Batchno.20251130 | 500mg | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20251209 | 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251118 | 5g | In stock | Shanghai | Inquiry |
- Product code: LINB887570
914651-17-5 / 4-[4-(4-formylphenyl)-2,1,3-benzothiadiazol-7-yl]benzaldehyde
Basic Information
CAS
914651-17-5
Multi CAS
No
Molecular Formula
C20H12N2O2S
Molecular Weight
344.400000
Exact Mass
344.061949
InChI
InChI=1S/C20H12N2O2S/c23-11-13-1-5-15(6-2-13)17-9-10-18(20-19(17)21-25-22-20)16-7-3-14(12-24)4-8-16/h1-12H
InChIKey
JDMIEZMXBAUTSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
21
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
99.06
TPSA
59.92
LogP / Solubility
WLOGP
4.65
MLOGP
4.11
XLogP3
4
Consensus LogP
4.25
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
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)
-1.52
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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