![CAS 318-69-4 [1]Benzothieno[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/318-69-4.gif)
CAS RN: 318-69-4
[1]Benzothieno[3,2-b]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.20260405 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS318-69-4
- Purity/Analytical Methods: >99.0%
318-69-4 / [1]benzothiolo[3,2-b]pyridine
Basic Information
CAS
318-69-4
Multi CAS
No
Molecular Formula
C11H7NS
Molecular Weight
185.250000
Exact Mass
185.029920
InChI
InChI=1S/C11H7NS/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-7H
InChIKey
WIUZHVZUGQDRHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
13
H-bond acceptors
2
Molar refractivity
57.13
TPSA
12.89
LogP / Solubility
WLOGP
3.45
MLOGP
3.03
XLogP3
3.3
Consensus LogP
3.26
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.4
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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