![CAS 59713-58-5 ETHYL 4-CHLOROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59713-58-5.gif)
CAS RN: 59713-58-5
ETHYL 4-CHLOROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59713-58-5
- Purity/Analytical Methods: >99.0%
59713-58-5 / ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate
Basic Information
CAS
59713-58-5
Multi CAS
No
Molecular Formula
C10H8CLNO2S
Molecular Weight
241.690000
Exact Mass
240.996427
InChI
InChI=1S/C10H8ClNO2S/c1-2-14-10(13)7-5-12-9-6(8(7)11)3-4-15-9/h3-5H,2H2,1H3
InChIKey
SHNDXZGVWCFUED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.59
TPSA
39.19
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.97
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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