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CAS 419571-73-6 tert-butyl 4-propionylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 419571-73-6

tert-butyl 4-propionylpiperidine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS419571-73-6
  • Purity/Analytical Methods: >99.0%
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419571-73-6 / tert-butyl 4-propanoylpiperidine-1-carboxylate

Standard CAS: 419571-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
419571-73-6
Multi CAS
Yes
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
InChI
InChI=1S/C13H23NO3/c1-5-11(15)10-6-8-14(9-7-10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
IGSFTWJIBCDRRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.83
TPSA
46.61

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
1.8
Consensus LogP
2.24
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

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