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CAS 34492-46-1 ethyl 3-oxo-3-(piperidin-1-yl)propanoate molecular structure lightbox
CAS RN: 34492-46-1

ethyl 3-oxo-3-(piperidin-1-yl)propanoate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34492-46-1
  • Purity/Analytical Methods: >99.0%
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34492-46-1 / ethyl 3-oxo-3-piperidin-1-ylpropanoate

Standard CAS: 34492-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34492-46-1
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
InChI
InChI=1S/C10H17NO3/c1-2-14-10(13)8-9(12)11-6-4-3-5-7-11/h2-8H2,1H3
InChIKey
IPPQMJBHZBIJGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
51.68
TPSA
46.61

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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