![CAS 53174-98-4 THIENO[2,3-B]PYRIDINE-2-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53174-98-4.gif)
CAS RN: 53174-98-4
THIENO[2,3-B]PYRIDINE-2-CARBALDEHYDE
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.20260218 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53174-98-4
- Purity/Analytical Methods: >99.0%
53174-98-4 / thieno[2,3-b]pyridine-2-carbaldehyde
Basic Information
CAS
53174-98-4
Multi CAS
Yes
Molecular Formula
C8H5NOS
Molecular Weight
163.200000
Exact Mass
163.009185
InChI
InChI=1S/C8H5NOS/c10-5-7-4-6-2-1-3-9-8(6)11-7/h1-5H
InChIKey
HGZQKYOLRLVMHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.01
TPSA
29.96
LogP / Solubility
WLOGP
2.11
MLOGP
1.85
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.22
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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