CAS RN: 2585198-87-2
2-Benzothiazolamine, 6-(2-methoxy-5-pyrimidinyl)-
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250116 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260502 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250920 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260109 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260221 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250617 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260624 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2585198-87-2
- Purity/Analytical Methods: >99.0%
2585198-87-2 / 6-(2-methoxypyrimidin-5-yl)-1,3-benzothiazol-2-amine
Basic Information
CAS
2585198-87-2
Multi CAS
No
Molecular Formula
C12H10N4OS
Molecular Weight
258.300000
Exact Mass
258.057532
SMILES
COC1=NC=C(C=N1)C2=CC3=C(C=C2)N=C(S3)N
InChI
InChI=1S/C12H10N4OS/c1-17-12-14-5-8(6-15-12)7-2-3-9-10(4-7)18-11(13)16-9/h2-6H,1H3,(H2,13,16)
InChIKey
POOYWDOOHWPQCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
71.61
TPSA
73.92
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 2590556-80-0 4-Pyrimidinamine, N-[[4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl]-6-[7-[3-(1-pyrrolidinyl)propoxy]imidazo[1,2-a]pyridin-3-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2590556-80-0.gif)