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CAS RN: 1415559-65-7
4-broMo-2-(6-Methoxypyridin-2-yl)thiazole
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.20250921 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415559-65-7
- Purity/Analytical Methods: >99.0%
1415559-65-7 / 4-bromo-2-(6-methoxy-2-pyridinyl)-1,3-thiazole
Basic Information
CAS
1415559-65-7
Multi CAS
No
Molecular Formula
C9H7BrN2OS
Molecular Weight
271.140000
Exact Mass
269.946250
SMILES
COC1=CC=CC(=N1)C2=NC(=CS2)Br
InChI
InChI=1S/C9H7BrN2OS/c1-13-8-4-2-3-6(11-8)9-12-7(10)5-14-9/h2-5H,1H3
InChIKey
QDSWVOIIURHOFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.6
TPSA
35.01
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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)
-2.26
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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