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CAS 160809-34-7 benzyl 4-acetylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 160809-34-7

benzyl 4-acetylpiperidine-1-carboxylate

  • Product code: SSC-068572
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 160809-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

160809-34-7 / benzyl 4-acetylpiperidine-1-carboxylate

Standard CAS: 160809-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160809-34-7
Multi CAS
No
Molecular Formula
C15H19NO3
Molecular Weight
261.320000
Exact Mass
261.136493
SMILES
CC(=O)C1CCN(CC1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-12(17)14-7-9-16(10-8-14)15(18)19-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKey
VOETZCCNDJVWCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
71.61
TPSA
46.61

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
1.8
Consensus LogP
2.25
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.45

Drug-likeness / Medicinal Chemistry

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

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