CAS RN: 960535-41-5
6-BROMO-2-CHLORO-4-FLUOROBENZOTHIAZOLE
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.20250412 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS960535-41-5
- Purity/Analytical Methods: >99.0%
960535-41-5 / 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
Basic Information
CAS
960535-41-5
Multi CAS
No
Molecular Formula
C7H2BRCLFNS
Molecular Weight
266.520000
Exact Mass
264.876390
InChI
InChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H
InChIKey
BTYMVNZOAAXVQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
52.29
TPSA
12.89
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
4.1
Consensus LogP
3.78
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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