CAS RN: 501378-56-9
2-Thien-2-ylisonicotinonitrile
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.20250227 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS501378-56-9
- Purity/Analytical Methods: >99.0%
501378-56-9 / 2-thiophen-2-ylpyridine-4-carbonitrile
Basic Information
CAS
501378-56-9
Multi CAS
No
Molecular Formula
C10H6N2S
Molecular Weight
186.240000
Exact Mass
186.025169
InChI
InChI=1S/C10H6N2S/c11-7-8-3-4-12-9(6-8)10-2-1-5-13-10/h1-6H
InChIKey
LPUFHCBAMBVWPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.27
TPSA
36.68
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
1.9
Consensus LogP
2.31
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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