![CAS 2170788-44-8 7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde-2F molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170788-44-8.png)
CAS RN: 2170788-44-8
7-bromo-benzo[c][1,2,5]thiadiazole-4-carbaldehyde-2F
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.20260202 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2170788-44-8
- Purity/Analytical Methods: >99.0%
2170788-44-8 / 4-bromo-5,6-difluoro-2,1,3-benzothiadiazole-7-carbaldehyde
Basic Information
CAS
2170788-44-8
Multi CAS
No
Molecular Formula
C7HBrF2N2OS
Molecular Weight
279.060000
Exact Mass
277.896100
SMILES
C(=O)C1=C(C(=C(C2=NSN=C12)Br)F)F
InChI
InChI=1S/C7HBrF2N2OS/c8-3-5(10)4(9)2(1-13)6-7(3)12-14-11-6/h1H
InChIKey
MIMRHLMJCOLMFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.42
TPSA
42.85
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
2.1
Consensus LogP
2.3
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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