![CAS 281656-91-5 ETHYL 2-AMINO-6-ETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/281656-91-5.png)
CAS RN: 281656-91-5
ETHYL 2-AMINO-6-ETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE
- Product code: SSC-128905
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 |
281656-91-5 / ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Basic Information
CAS
281656-91-5
Multi CAS
No
Molecular Formula
C12H18N2O2S
Molecular Weight
254.350000
Exact Mass
254.108899
InChI
InChI=1S/C12H18N2O2S/c1-3-14-6-5-8-9(7-14)17-11(13)10(8)12(15)16-4-2/h3-7,13H2,1-2H3
InChIKey
HLWOSVMLHPRGML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.34
TPSA
55.56
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 281678-73-7 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/281678-73-7.png)
