CAS RN: 91804-56-7
Benzothiazole, 5-phenyl- (7CI)
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.20260319 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS91804-56-7
- Purity/Analytical Methods: >99.0%
91804-56-7 / 5-phenyl-1,3-benzothiazole
Basic Information
CAS
91804-56-7
Multi CAS
No
Molecular Formula
C13H9NS
Molecular Weight
211.280000
Exact Mass
211.045570
InChI
InChI=1S/C13H9NS/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)14-9-15-13/h1-9H
InChIKey
AAKPXIJKSNGOCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
65.06
TPSA
12.89
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
3.6
Consensus LogP
3.68
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-1.19
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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