CAS RN: 313490-90-3
Ethyl 2-((tert-butoxycarbonyl)amino)-2-(pyridin-2-yl)acetate
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.20250618 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE891783
313490-90-3 / ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetate
Basic Information
CAS
313490-90-3
Multi CAS
No
Molecular Formula
C14H20N2O4
Molecular Weight
280.320000
Exact Mass
280.142307
InChI
InChI=1S/C14H20N2O4/c1-5-19-12(17)11(10-8-6-7-9-15-10)16-13(18)20-14(2,3)4/h6-9,11H,5H2,1-4H3,(H,16,18)
InChIKey
JIPZVYGAUCKXFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.98
TPSA
77.52
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
1.9
Consensus LogP
2.02
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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