![CAS 31857-81-5 6-fluorobenzo[d]isothiazol-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31857-81-5.gif)
CAS RN: 31857-81-5
6-fluorobenzo[d]isothiazol-3-amine
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.20260410 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31857-81-5
- Purity/Analytical Methods: >99.0%
31857-81-5 / 6-chloro-1,2-benzothiazol-3-amine
Basic Information
CAS
31857-81-5
Multi CAS
Yes
Molecular Formula
C7H5CLN2S
Molecular Weight
184.650000
Exact Mass
183.986197
InChI
InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKey
LEACCYVBERSINY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.04
TPSA
38.91
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.05
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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