CAS RN: 6265-97-0
2-(2-BENZOTHIAZOLYL)-5-CHLOROPHENOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6265-97-0
- Purity/Analytical Methods: >99.0%
6265-97-0 / 2-(1,3-benzothiazol-2-yl)-4-chlorophenol
Basic Information
CAS
6265-97-0
Multi CAS
Yes
Molecular Formula
C13H8CLNOS
Molecular Weight
261.730000
Exact Mass
261.001513
InChI
InChI=1S/C13H8ClNOS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H
InChIKey
NTSGEVXMOPCWCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.73
TPSA
33.12
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.25
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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