CAS RN: 175204-22-5
5-CHLORO-6-FLUOROBENZO-2,1,3-THIADIAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250124 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS175204-22-5
- Purity/Analytical Methods: >99.0%
175204-22-5 / 5-chloro-6-fluoro-2,1,3-benzothiadiazole
Basic Information
CAS
175204-22-5
Multi CAS
No
Molecular Formula
C6H2ClFN2S
Molecular Weight
188.610000
Exact Mass
187.961125
SMILES
C1=C(C(=CC2=NSN=C21)Cl)F
InChI
InChI=1S/C6H2ClFN2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
MXKOABONVNDVKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
42.38
TPSA
25.78
LogP / Solubility
WLOGP
2.48
MLOGP
2.18
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 175204-24-7
- Product Code: starshine_CAS175204-24-7
- Purity/Analytical method: >99.0%
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