CAS RN: 882303-63-1
5,5′-(2,1,3-Benzothiadiazole-4,7-diyl)di(2-thiophenecarbaldehyde)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS882303-63-1
- Purity/Analytical Methods: >99.0%
882303-63-1 / 5-[4-(5-formylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophene-2-carbaldehyde
Basic Information
CAS
882303-63-1
Multi CAS
No
Molecular Formula
C16H8N2O2S3
Molecular Weight
356.400000
Exact Mass
355.974791
InChI
InChI=1S/C16H8N2O2S3/c19-7-9-1-5-13(21-9)11-3-4-12(16-15(11)17-23-18-16)14-6-2-10(8-20)22-14/h1-8H
InChIKey
MYFMYUMBJOVSJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
94.82
TPSA
59.92
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.1
Consensus LogP
4.36
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
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)
-1.51
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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