![CAS 936801-42-2 Ethyl 5-([(Tert-Butoxy)Carbonyl]Amino)-6-Methylpyridine-3-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936801-42-2.gif)
CAS RN: 936801-42-2
Ethyl 5-([(Tert-Butoxy)Carbonyl]Amino)-6-Methylpyridine-3-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.20250622 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS936801-42-2
- Purity/Analytical Methods: >99.0%
936801-42-2 / ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
Basic Information
CAS
936801-42-2
Multi CAS
No
Molecular Formula
C14H20N2O4
Molecular Weight
280.320000
Exact Mass
280.142307
InChI
InChI=1S/C14H20N2O4/c1-6-19-12(17)10-7-11(9(2)15-8-10)16-13(18)20-14(3,4)5/h7-8H,6H2,1-5H3,(H,16,18)
InChIKey
ZDLRWEQOGCCJDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.79
TPSA
77.52
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2
Consensus LogP
2.49
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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