CAS RN: 43087-91-8
2-Phenyl-5-benzothiazolamine
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.20250115 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS43087-91-8
- Purity/Analytical Methods: >99.0%
43087-91-8 / 2-phenyl-1,3-benzothiazol-5-amine
Basic Information
CAS
43087-91-8
Multi CAS
No
Molecular Formula
C13H10N2S
Molecular Weight
226.300000
Exact Mass
226.056470
InChI
InChI=1S/C13H10N2S/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey
GPBQVPZBUKXEJQ-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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