CAS RN: 4464-60-2
Bis(benzothiazole-2-yl) ketone
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.20250415 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4464-60-2
- Purity/Analytical Methods: >99.0%
4464-60-2 / bis(1,3-benzothiazol-2-yl)methanone
Basic Information
CAS
4464-60-2
Multi CAS
No
Molecular Formula
C15H8N2OS2
Molecular Weight
296.400000
Exact Mass
296.007805
InChI
InChI=1S/C15H8N2OS2/c18-13(14-16-9-5-1-3-7-11(9)19-14)15-17-10-6-2-4-8-12(10)20-15/h1-8H
InChIKey
QLMKKZCKMXLQIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
82.67
TPSA
42.85
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
4.8
Consensus LogP
4.2
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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