![CAS 923738-50-5 ETHYL 6-CHLORO-3,4-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1828814.gif)
CAS RN: 923738-50-5
ETHYL 6-CHLORO-3,4-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE
- Product code: SSC-206021
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
923738-50-5 / ethyl 6-chloro-3,4-dimethylthieno[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
923738-50-5
Multi CAS
No
Molecular Formula
C12H12CLNO2S
Molecular Weight
269.750000
Exact Mass
269.027728
InChI
InChI=1S/C12H12ClNO2S/c1-4-16-12(15)10-7(3)9-6(2)5-8(13)14-11(9)17-10/h5H,4H2,1-3H3
InChIKey
IGYCPQFKFIWYPV-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
4
Molar refractivity
70.06
TPSA
39.19
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
4.4
Consensus LogP
3.81
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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