CAS RN: 650635-67-9
4-Benzothiazolamine,2,5-dimethyl-(9CI)
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.20250724 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS650635-67-9
- Purity/Analytical Methods: >99.0%
650635-67-9 / 2,5-dimethyl-1,3-benzothiazol-4-amine
Basic Information
CAS
650635-67-9
Multi CAS
No
Molecular Formula
C9H10N2S
Molecular Weight
178.260000
Exact Mass
178.056470
InChI
InChI=1S/C9H10N2S/c1-5-3-4-7-9(8(5)10)11-6(2)12-7/h3-4H,10H2,1-2H3
InChIKey
HMYFXZPQFWZJIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.51
TPSA
38.91
LogP / Solubility
WLOGP
2.5
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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