CAS RN: 473837-03-5
“tert-butyl 4-(1-ethoxy-1-oxopropan-2-ylidene)piperidine-1-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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260328 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS473837-03-5
- Purity/Analytical Methods: >99.0%
473837-03-5 / tert-butyl 4-(1-ethoxy-1-oxopropan-2-ylidene)piperidine-1-carboxylate
Basic Information
CAS
473837-03-5
Multi CAS
No
Molecular Formula
C15H25NO4
Molecular Weight
283.360000
Exact Mass
283.178358
InChI
InChI=1S/C15H25NO4/c1-6-19-13(17)11(2)12-7-9-16(10-8-12)14(18)20-15(3,4)5/h6-10H2,1-5H3
InChIKey
DBCYSDFJISJFLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.37
TPSA
55.84
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.1
Consensus LogP
2.52
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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