![CAS 66869-77-0 Ethyl 3-chlorothieno[2,3-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66869-77-0.gif)
CAS RN: 66869-77-0
Ethyl 3-chlorothieno[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.20260605 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS66869-77-0
- Purity/Analytical Methods: >99.0%
66869-77-0 / ethyl 3-chlorothieno[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
66869-77-0
Multi CAS
No
Molecular Formula
C10H8CLNO2S
Molecular Weight
241.690000
Exact Mass
240.996427
InChI
InChI=1S/C10H8ClNO2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2H2,1H3
InChIKey
JCVFKGMSIUJSRU-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
3.4
Consensus LogP
3.1
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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