CAS RN: 29483-73-6
2-(2-AMINOPHENYL)BENZOTHIAZOLE 97
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.20260528 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29483-73-6
- Purity/Analytical Methods: >99.0%
29483-73-6 / 2-(1,3-benzothiazol-2-yl)aniline
Basic Information
CAS
29483-73-6
Multi CAS
No
Molecular Formula
C13H10N2S
Molecular Weight
226.300000
Exact Mass
226.056470
InChI
InChI=1S/C13H10N2S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2
InChIKey
RAASYFFQTCWEKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.47
TPSA
38.91
LogP / Solubility
WLOGP
3.55
MLOGP
3.12
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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