CAS RN: 80206-41-3
Ethyl 3, 5-diMethyl-2-pyridinecarboxylate
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.20250619 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS80206-41-3
- Purity/Analytical Methods: >99.0%
80206-41-3 / ethyl 3,5-dimethylpyridine-2-carboxylate
Basic Information
CAS
80206-41-3
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-4-13-10(12)9-8(3)5-7(2)6-11-9/h5-6H,4H2,1-3H3
InChIKey
WGYIDPRYAIMJEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.67
TPSA
39.19
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.48
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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