CAS RN: 1443759-36-1
ethyl 6-cyclopropylpyridine-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250513 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1443759-36-1
- Purity/Analytical Methods: >99.0%
1443759-36-1 / ethyl 6-cyclopropylpyridine-2-carboxylate
Basic Information
CAS
1443759-36-1
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
CCOC(=O)C1=CC=CC(=N1)C2CC2
InChI
InChI=1S/C11H13NO2/c1-2-14-11(13)10-5-3-4-9(12-10)8-6-7-8/h3-5,8H,2,6-7H2,1H3
InChIKey
CDNTYPKILZGZFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
52.17
TPSA
39.19
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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