CAS RN: 31224-76-7
Benzothiazole, 2-(1H-indol-3-yl)-
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.20250909 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31224-76-7
- Purity/Analytical Methods: >99.0%
31224-76-7 / 2-(1H-indol-3-yl)-1,3-benzothiazole
Basic Information
CAS
31224-76-7
Multi CAS
No
Molecular Formula
C15H10N2S
Molecular Weight
250.320000
Exact Mass
250.056470
InChI
InChI=1S/C15H10N2S/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15/h1-9,16H
InChIKey
ULIFIGWPOWNVJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.91
TPSA
28.68
LogP / Solubility
WLOGP
4.44
MLOGP
3.92
XLogP3
4.2
Consensus LogP
4.19
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-1.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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