CAS RN: 834884-76-3
6-(3-THIENYL)PYRIDINE-2-CARBOXALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251201 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS834884-76-3
- Purity/Analytical Methods: >99.0%
834884-76-3 / 6-thiophen-3-ylpyridine-2-carbaldehyde
Basic Information
CAS
834884-76-3
Multi CAS
No
Molecular Formula
C10H7NOS
Molecular Weight
189.240000
Exact Mass
189.024835
InChI
InChI=1S/C10H7NOS/c12-6-9-2-1-3-10(11-9)8-4-5-13-7-8/h1-7H
InChIKey
UPRCKKVQTPHFKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.94
TPSA
29.96
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2
Consensus LogP
2.31
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.01
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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![CAS 834884-95-6 1-BOC-4-(CARBOXY-THIOPHEN-2-YL-METHYL)-[1,4]DIAZEPANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/834884-95-6.gif)
