CAS RN: 4146-25-2
Benzothiazole, 7-chloro-2-methyl- (7CI,8CI,9CI)
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.20250117 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4146-25-2
- Purity/Analytical Methods: >99.0%
4146-25-2 / 7-chloro-2-methyl-1,3-benzothiazole
Basic Information
CAS
4146-25-2
Multi CAS
No
Molecular Formula
C8H6CLNS
Molecular Weight
183.660000
Exact Mass
182.990948
InChI
InChI=1S/C8H6ClNS/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,1H3
InChIKey
DWIIVWLIRYTDOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
49.37
TPSA
12.89
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-1.53
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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