![CAS 1261302-02-6 4-chlorothieno[3,2-c]pyridine-7-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42566078.gif)
CAS RN: 1261302-02-6
4-chlorothieno[3,2-c]pyridine-7-carbonitrile
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.20251212 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261302-02-6
- Purity/Analytical Methods: >99.0%
1261302-02-6 / 4-chlorothieno[3,2-c]pyridine-7-carbonitrile
Basic Information
CAS
1261302-02-6
Multi CAS
No
Molecular Formula
C8H3ClN2S
Molecular Weight
194.640000
Exact Mass
193.970547
SMILES
C1=CSC2=C1C(=NC=C2C#N)Cl
InChI
InChI=1S/C8H3ClN2S/c9-8-6-1-2-12-7(6)5(3-10)4-11-8/h1-2,4H
InChIKey
YTWUPNCUALHOMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
49.35
TPSA
36.68
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-1.9
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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