CAS RN: 1289555-51-6
2-chloro-4-(thiophen-2-yl)pyridine
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.20251020 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289555-51-6
- Purity/Analytical Methods: >99.0%
1289555-51-6 / 2-chloro-4-thiophen-2-ylpyridine
Basic Information
CAS
1289555-51-6
Multi CAS
No
Molecular Formula
C9H6ClNS
Molecular Weight
195.670000
Exact Mass
194.990948
SMILES
C1=CSC(=C1)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C9H6ClNS/c10-9-6-7(3-4-11-9)8-2-1-5-12-8/h1-6H
InChIKey
WSDBIQZAFYFMGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.56
TPSA
12.89
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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)
-1.45
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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