![CAS 52505-56-3 ETHYL 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52505-56-3.gif)
CAS RN: 52505-56-3
ETHYL 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE
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.20251119 | 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-159631
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 | Beijing | Inquiry |
52505-56-3 / ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
52505-56-3
Multi CAS
No
Molecular Formula
C12H14N2O2S
Molecular Weight
250.320000
Exact Mass
250.077599
InChI
InChI=1S/C12H14N2O2S/c1-4-16-12(15)10-9(13)8-6(2)5-7(3)14-11(8)17-10/h5H,4,13H2,1-3H3
InChIKey
NUXMTIQMQARQAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.46
TPSA
65.21
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
3.4
Consensus LogP
2.81
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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