![CAS 52505-57-4 3-AMINO-4,6-DIMETHYL-THIENO[2,3-B]PYRIDINE-2-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52505-57-4.gif)
CAS RN: 52505-57-4
3-AMINO-4,6-DIMETHYL-THIENO[2,3-B]PYRIDINE-2-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.20250506 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-159632
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
52505-57-4 / 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
Basic Information
CAS
52505-57-4
Multi CAS
No
Molecular Formula
C10H9N3S
Molecular Weight
203.270000
Exact Mass
203.051718
InChI
InChI=1S/C10H9N3S/c1-5-3-6(2)13-10-8(5)9(12)7(4-11)14-10/h3H,12H2,1-2H3
InChIKey
JFSSJJOGTVVJJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.22
TPSA
62.7
LogP / Solubility
WLOGP
2.37
MLOGP
2.08
XLogP3
2.9
Consensus LogP
2.45
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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